 Entering Gaussian System, Link 0=g16
 Input=06_betapinene_STD_M11-def2SVPDr.in
 Output=06_betapinene_STD_M11-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
                222.93325020            -0.11198808009
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                 11.124501923            0.44241976651
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            ****
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            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    1   1.00
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                 10.433943171           -0.41205302672
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
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            S    2   1.00
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            S    1   1.00
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                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
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            P    1   1.00
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            P    1   1.00
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                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
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                  6.2390917199           0.38470524721
            S    1   1.00
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                  2.2546815460           0.72619456861
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            P    3   1.00
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                 21.725228086            0.57393353332D-01
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
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            D    1   1.00
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            D    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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                  2.5207180000          -1.0707548832
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
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                 11.547491000            1.5261602829
            S    1   1.00
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                  5.9599790000          -0.83713508620273
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                  0.49702823217          0.51965388690539
            P    1   1.00
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                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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                  0.61042908544          0.42959071631
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            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
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            S    1   1.00
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
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                  6.3502060000          -0.76096056536
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                  0.62659600547          0.51483045040
            P    1   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
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            S    1   1.00
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                  6.3036410000          -0.56379438345
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                  0.68442749722          0.52445339821
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
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                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
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            S    1   1.00
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            P    4   1.00
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                  6.2456140000          -0.44863071815131
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                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
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            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
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                  7.2000000000          -0.95441807252
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                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
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            F    1   1.00
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            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
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            S    1   1.00
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                  7.3353260000          -0.72681584494
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                  0.78159310216          0.49579068859
            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
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            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
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            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.1690950000          -0.44026342153
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                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_def2SVPD/06_betapinene_STD/Gau-216402.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_def2SVPD/06_betapinene_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    216403.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                22-Jul-2021 
 ******************************************
 %NoSave
 %nproc=12
 Will use up to   12 processors via shared memory.
 %mem=128GB
 %chk=06_betapinene_STD_M11-def2SVPDr
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul 22 18:45:19 2021, MaxMem= 17179869184 cpu:               1.8 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "06_betapinene_STD_M11-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.736209000000      0.801878000000      0.378732000000
  C                                                 0.496901000000      1.638940000000      0.787068000000
  C                                                 1.383096000000     -0.522443000000     -0.274501000000
  C                                                 2.201969000000     -1.569072000000     -0.279208000000
  C                                                 0.025556000000     -0.542713000000     -0.909694000000
  C                                                -1.066183000000     -0.286051000000      0.196211000000
  C                                                -0.738063000000      1.227450000000     -0.016143000000
  C                                                -0.309046000000      0.871194000000     -1.461941000000
  H                                                 2.398518000000      0.639455000000      1.229830000000
  H                                                 0.705457000000      2.697786000000      0.618767000000
  H                                                 0.292720000000      1.530390000000      1.853834000000
  H                                                 3.163814000000     -1.541544000000      0.219131000000
  H                                                 1.937671000000     -2.488500000000     -0.787055000000
  H                                                -0.114313000000     -1.410379000000     -1.555412000000
  C                                                -0.857617000000     -0.904210000000      1.570339000000
  C                                                -2.466835000000     -0.645129000000     -0.296336000000
  H                                                -1.560459000000      1.932149000000      0.122182000000
  H                                                -1.140268000000      0.855938000000     -2.161136000000
  H                                                 0.507286000000      1.443130000000     -1.902380000000
  H                                                 0.139287000000     -0.735039000000      1.971262000000
  H                                                -1.004924000000     -1.985930000000      1.522168000000
  H                                                -1.583414000000     -0.502658000000      2.282629000000
  H                                                -2.691969000000     -0.231611000000     -1.278562000000
  H                                                -3.219726000000     -0.269790000000      0.401530000000
  H                                                -2.582631000000     -1.729976000000     -0.357089000000
  H                                                 2.317034000000      1.377511000000     -0.346860000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1
 NAtoms=     26 NQM=       26 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1          12          12           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           0           0           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26
 IAtWgt=           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.093368
 Leave Link  101 at Thu Jul 22 18:45:19 2021, MaxMem= 17179869184 cpu:               3.7 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.736209    0.801878    0.378732
      2          6           0        0.496901    1.638940    0.787068
      3          6           0        1.383096   -0.522443   -0.274501
      4          6           0        2.201969   -1.569072   -0.279208
      5          6           0        0.025556   -0.542713   -0.909694
      6          6           0       -1.066183   -0.286051    0.196211
      7          6           0       -0.738063    1.227450   -0.016143
      8          6           0       -0.309046    0.871194   -1.461941
      9          1           0        2.398518    0.639455    1.229830
     10          1           0        0.705457    2.697786    0.618767
     11          1           0        0.292720    1.530390    1.853834
     12          1           0        3.163814   -1.541544    0.219131
     13          1           0        1.937671   -2.488500   -0.787055
     14          1           0       -0.114313   -1.410379   -1.555412
     15          6           0       -0.857617   -0.904210    1.570339
     16          6           0       -2.466835   -0.645129   -0.296336
     17          1           0       -1.560459    1.932149    0.122182
     18          1           0       -1.140268    0.855938   -2.161136
     19          1           0        0.507286    1.443130   -1.902380
     20          1           0        0.139287   -0.735039    1.971262
     21          1           0       -1.004924   -1.985930    1.522168
     22          1           0       -1.583414   -0.502658    2.282629
     23          1           0       -2.691969   -0.231611   -1.278562
     24          1           0       -3.219726   -0.269790    0.401530
     25          1           0       -2.582631   -1.729976   -0.357089
     26          1           0        2.317034    1.377511   -0.346860
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.550257   0.000000
     3  C    1.518298   2.565901   0.000000
     4  C    2.504241   3.786231   1.328912   0.000000
     5  C    2.528695   2.803708   1.498932   2.487509   0.000000
     6  C    3.011695   2.549105   2.505278   3.543019   1.575054
     7  C    2.541468   1.529578   2.761918   4.066144   2.124859
     8  C    2.752444   2.509388   2.493107   3.695802   1.554371
     9  H    1.090597   2.193435   2.155018   2.682055   3.406763
    10  H    2.171298   1.092234   3.409838   4.609987   3.646819
    11  H    2.188679   1.091541   3.151643   4.219214   3.464999
    12  H    2.748664   4.189326   2.110260   1.083626   3.481461
    13  H    3.496603   4.646444   2.106097   1.083102   2.730808
    14  H    3.472668   3.893474   2.161341   2.649348   1.090578
    15  C    3.325447   2.985941   2.927452   3.636472   2.657299
    16  C    4.496123   3.895442   3.851947   4.759380   2.568795
    17  H    3.494474   2.181920   3.853167   5.155146   3.115310
    18  H    3.837704   3.461982   3.438996   4.537937   2.209407
    19  H    2.669256   2.696587   2.698242   3.818376   2.271797
    20  H    2.729180   2.676935   2.575987   3.164630   2.889608
    21  H    4.073467   3.991933   3.327530   3.701741   3.009770
    22  H    4.043085   3.339290   3.916566   4.693546   3.575097
    23  H    4.839781   4.234936   4.207003   5.170893   2.760034
    24  H    5.070531   4.195856   4.659058   5.616611   3.510791
    25  H    5.060049   4.705551   4.146317   4.787938   2.918494
    26  H    1.093250   2.160329   2.118325   2.949605   3.042189
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.563151   0.000000
     8  C    2.159153   1.549615   0.000000
     9  H    3.732169   3.425832   3.824949   0.000000
    10  H    3.495790   2.156096   2.948729   2.734334   0.000000
    11  H    2.809589   2.156641   3.433806   2.370133   1.748873
    12  H    4.412444   4.790337   4.550611   2.522686   4.916823
    13  H    3.852367   4.643505   4.097652   3.750241   5.512917
    14  H    2.288745   3.117139   2.291775   4.274776   4.719756
    15  C    1.521134   2.659923   3.556362   3.619567   4.040181
    16  C    1.527536   2.563925   2.883388   5.258422   4.698503
    17  H    2.273807   1.091819   2.280593   4.309459   2.442780
    18  H    2.620441   2.213772   1.086295   4.905968   3.811426
    19  H    3.141649   2.270529   1.089723   3.746117   2.823051
    20  H    2.192157   2.927607   3.816788   2.746467   3.732838
    21  H    2.156734   3.572594   4.189548   4.308309   5.067419
    22  H    2.160460   2.998707   4.187277   4.274177   4.272026
    23  H    2.195700   2.745962   2.632134   5.741415   4.870701
    24  H    2.163370   2.928281   3.639564   5.751302   4.925521
    25  H    2.165797   3.502148   3.627116   5.739718   5.600794
    26  H    3.809005   3.076607   2.897595   1.742790   2.296245
                   11         12         13         14         15
    11  H    0.000000
    12  H    4.511343   0.000000
    13  H    5.082483   1.847312   0.000000
    14  H    4.520703   3.729923   2.441998   0.000000
    15  C    2.707568   4.289973   3.985087   3.252542   0.000000
    16  C    4.119619   5.724812   4.799843   2.775831   2.478141
    17  H    2.567937   5.864699   5.710146   4.009757   3.261300
    18  H    4.316054   5.471628   4.748376   2.560406   4.135447
    19  H    3.763349   4.523962   4.329857   2.940967   4.408258
    20  H    2.273653   3.587224   3.730566   3.599698   1.087739
    21  H    3.762763   4.390189   3.774116   3.255141   1.092766
    22  H    2.799469   5.279534   5.075881   4.208655   1.093335
    23  H    4.671715   6.184594   5.173847   2.847885   3.454486
    24  H    4.205605   6.511544   5.738828   3.843716   2.710749
    25  H    4.877070   5.778336   4.603625   2.762375   2.715242
    26  H    2.994040   3.091644   3.909441   3.891578   4.354344
                   16         17         18         19         20
    16  C    0.000000
    17  H    2.763881   0.000000
    18  H    2.736871   2.558971   0.000000
    19  H    3.973109   2.934887   1.768102   0.000000
    20  H    3.455714   3.663622   4.609250   4.459254   0.000000
    21  H    2.691076   4.197609   4.654166   5.076688   1.753748
    22  H    2.729797   3.255202   4.667891   5.066697   1.765970
    23  H    1.089243   2.815006   2.090329   3.664579   4.339448
    24  H    1.093042   2.771234   3.486928   4.704542   3.736774
    25  H    1.092700   3.832192   3.467268   4.690854   3.717520
    26  H    5.194134   3.944943   3.939108   2.387286   3.818264
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.764383   0.000000
    23  H    3.710505   3.739578   0.000000
    24  H    3.017667   2.504052   1.761447   0.000000
    25  H    2.467038   3.077800   1.762432   1.764521   0.000000
    26  H    5.083444   5.065841   5.342982   5.824895   5.802008
                   26
    26  H    0.000000
 Stoichiometry    C10H16
 Framework group  C1[X(C10H16)]
 Deg. of freedom    72
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 6.48D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.736209    0.801878    0.378732
      2          6           0        0.496901    1.638940    0.787068
      3          6           0        1.383096   -0.522443   -0.274501
      4          6           0        2.201969   -1.569072   -0.279208
      5          6           0        0.025556   -0.542713   -0.909694
      6          6           0       -1.066183   -0.286051    0.196211
      7          6           0       -0.738063    1.227450   -0.016143
      8          6           0       -0.309046    0.871194   -1.461941
      9          1           0        2.398518    0.639455    1.229830
     10          1           0        0.705457    2.697786    0.618767
     11          1           0        0.292720    1.530390    1.853834
     12          1           0        3.163814   -1.541544    0.219131
     13          1           0        1.937671   -2.488500   -0.787055
     14          1           0       -0.114313   -1.410379   -1.555412
     15          6           0       -0.857617   -0.904210    1.570339
     16          6           0       -2.466835   -0.645129   -0.296336
     17          1           0       -1.560459    1.932149    0.122182
     18          1           0       -1.140268    0.855938   -2.161136
     19          1           0        0.507286    1.443130   -1.902380
     20          1           0        0.139287   -0.735039    1.971262
     21          1           0       -1.004924   -1.985930    1.522168
     22          1           0       -1.583414   -0.502658    2.282629
     23          1           0       -2.691969   -0.231611   -1.278562
     24          1           0       -3.219726   -0.269790    0.401530
     25          1           0       -2.582631   -1.729976   -0.357089
     26          1           0        2.317034    1.377511   -0.346860
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.9111302           1.2981916           1.1547870
 Leave Link  202 at Thu Jul 22 18:45:20 2021, MaxMem= 17179869184 cpu:               2.8 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     17     18     19     20
 Centers:      21     22     23     24     25     26
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8     15     16
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   348 symmetry adapted cartesian basis functions of A   symmetry.
 There are   328 symmetry adapted basis functions of A   symmetry.
   328 basis functions,   480 primitive gaussians,   348 cartesian basis functions
    38 alpha electrons       38 beta electrons
       nuclear repulsion energy       571.0056832907 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   26 NActive=   26 NUniq=   26 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Jul 22 18:45:21 2021, MaxMem= 17179869184 cpu:               5.7 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   328 RedAO= T EigKep=  1.46D-05  NBF=   328
 NBsUse=   328 1.00D-06 EigRej= -1.00D+00 NBFU=   328
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   348   348   348   348   348 MxSgAt=    26 MxSgA2=    26.
 Leave Link  302 at Thu Jul 22 18:45:24 2021, MaxMem= 17179869184 cpu:              21.9 elap:               2.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul 22 18:45:24 2021, MaxMem= 17179869184 cpu:               3.5 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "06_betapinene_STD_M11-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000   -0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul 22 18:45:27 2021, MaxMem= 17179869184 cpu:              20.7 elap:               2.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 17179869184 LenX= 17179619262 LenY= 17179497717
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -390.099219114360    
 DIIS: error= 3.74D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -390.099219114360     IErMin= 1 ErrMin= 3.74D-03
 ErrMax= 3.74D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.34D-02 BMatP= 1.34D-02
 IDIUse=3 WtCom= 9.63D-01 WtEn= 3.74D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.428 Goal=   None    Shift=    0.000
 GapD=    0.428 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=1.22D-02 MaxDP=1.02D+00              OVMax= 1.98D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.09D-02    CP:  1.23D+00
 E= -390.114128279000     Delta-E=       -0.014909164640 Rises=F Damp=F
 DIIS: error= 4.62D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -390.114128279000     IErMin= 2 ErrMin= 4.62D-04
 ErrMax= 4.62D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.90D-04 BMatP= 1.34D-02
 IDIUse=3 WtCom= 9.95D-01 WtEn= 4.62D-03
 Coeff-Com: -0.943D-01 0.109D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.939D-01 0.109D+01
 Gap=     0.382 Goal=   None    Shift=    0.000
 RMSDP=2.62D-03 MaxDP=2.72D-01 DE=-1.49D-02 OVMax= 5.12D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.11D-03    CP:  1.29D+00  1.17D+00
 E= -390.114681130086     Delta-E=       -0.000552851087 Rises=F Damp=F
 DIIS: error= 1.56D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -390.114681130086     IErMin= 3 ErrMin= 1.56D-04
 ErrMax= 1.56D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.27D-05 BMatP= 2.90D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.56D-03
 Coeff-Com: -0.299D-01 0.184D+00 0.846D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.298D-01 0.183D+00 0.847D+00
 Gap=     0.381 Goal=   None    Shift=    0.000
 RMSDP=1.75D-04 MaxDP=1.08D-02 DE=-5.53D-04 OVMax= 2.46D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.36D-04    CP:  1.29D+00  1.18D+00  1.03D+00
 E= -390.114711949420     Delta-E=       -0.000030819333 Rises=F Damp=F
 DIIS: error= 8.76D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -390.114711949420     IErMin= 4 ErrMin= 8.76D-05
 ErrMax= 8.76D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.71D-06 BMatP= 3.27D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.221D-02-0.464D-01 0.318D+00 0.731D+00
 Coeff:     -0.221D-02-0.464D-01 0.318D+00 0.731D+00
 Gap=     0.381 Goal=   None    Shift=    0.000
 RMSDP=6.46D-05 MaxDP=5.62D-03 DE=-3.08D-05 OVMax= 1.13D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.91D-05    CP:  1.29D+00  1.18D+00  1.07D+00  9.94D-01
 E= -390.114720675231     Delta-E=       -0.000008725811 Rises=F Damp=F
 DIIS: error= 3.00D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -390.114720675231     IErMin= 5 ErrMin= 3.00D-05
 ErrMax= 3.00D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.99D-07 BMatP= 8.71D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.185D-02-0.298D-01 0.269D-01 0.262D+00 0.739D+00
 Coeff:      0.185D-02-0.298D-01 0.269D-01 0.262D+00 0.739D+00
 Gap=     0.381 Goal=   None    Shift=    0.000
 RMSDP=1.64D-05 MaxDP=6.07D-04 DE=-8.73D-06 OVMax= 3.59D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.21D-05    CP:  1.29D+00  1.18D+00  1.07D+00  1.05D+00  9.18D-01
 E= -390.114721535372     Delta-E=       -0.000000860141 Rises=F Damp=F
 DIIS: error= 7.90D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -390.114721535372     IErMin= 6 ErrMin= 7.90D-06
 ErrMax= 7.90D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.89D-08 BMatP= 7.99D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.723D-03-0.672D-02-0.147D-01 0.306D-01 0.236D+00 0.754D+00
 Coeff:      0.723D-03-0.672D-02-0.147D-01 0.306D-01 0.236D+00 0.754D+00
 Gap=     0.381 Goal=   None    Shift=    0.000
 RMSDP=7.17D-06 MaxDP=4.48D-04 DE=-8.60D-07 OVMax= 5.48D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  4.38D-06    CP:  1.29D+00  1.18D+00  1.08D+00  1.06D+00  9.99D-01
                    CP:  9.28D-01
 E= -390.114721594279     Delta-E=       -0.000000058908 Rises=F Damp=F
 DIIS: error= 1.37D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -390.114721594279     IErMin= 7 ErrMin= 1.37D-06
 ErrMax= 1.37D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.36D-09 BMatP= 4.89D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.561D-04 0.174D-02-0.492D-02-0.192D-01-0.306D-01 0.109D+00
 Coeff-Com:  0.944D+00
 Coeff:     -0.561D-04 0.174D-02-0.492D-02-0.192D-01-0.306D-01 0.109D+00
 Coeff:      0.944D+00
 Gap=     0.381 Goal=   None    Shift=    0.000
 RMSDP=1.91D-06 MaxDP=7.96D-05 DE=-5.89D-08 OVMax= 1.95D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.33D-06    CP:  1.29D+00  1.18D+00  1.08D+00  1.06D+00  1.01D+00
                    CP:  9.93D-01  1.11D+00
 E= -390.114721598393     Delta-E=       -0.000000004113 Rises=F Damp=F
 DIIS: error= 4.75D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -390.114721598393     IErMin= 8 ErrMin= 4.75D-07
 ErrMax= 4.75D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.74D-10 BMatP= 2.36D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.731D-04 0.106D-02-0.387D-03-0.771D-02-0.278D-01-0.257D-01
 Coeff-Com:  0.263D+00 0.797D+00
 Coeff:     -0.731D-04 0.106D-02-0.387D-03-0.771D-02-0.278D-01-0.257D-01
 Coeff:      0.263D+00 0.797D+00
 Gap=     0.381 Goal=   None    Shift=    0.000
 RMSDP=5.01D-07 MaxDP=2.17D-05 DE=-4.11D-09 OVMax= 6.31D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.28D-07    CP:  1.29D+00  1.18D+00  1.08D+00  1.06D+00  1.01D+00
                    CP:  1.01D+00  1.18D+00  1.11D+00
 E= -390.114721598756     Delta-E=       -0.000000000363 Rises=F Damp=F
 DIIS: error= 2.39D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -390.114721598756     IErMin= 9 ErrMin= 2.39D-07
 ErrMax= 2.39D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.27D-11 BMatP= 2.74D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.128D-04 0.103D-03 0.271D-03-0.121D-03-0.412D-02-0.150D-01
 Coeff-Com: -0.239D-01 0.196D+00 0.847D+00
 Coeff:     -0.128D-04 0.103D-03 0.271D-03-0.121D-03-0.412D-02-0.150D-01
 Coeff:     -0.239D-01 0.196D+00 0.847D+00
 Gap=     0.381 Goal=   None    Shift=    0.000
 RMSDP=1.62D-07 MaxDP=1.41D-05 DE=-3.63D-10 OVMax= 1.70D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  9.62D-08    CP:  1.29D+00  1.18D+00  1.08D+00  1.06D+00  1.01D+00
                    CP:  1.01D+00  1.19D+00  1.18D+00  1.07D+00
 E= -390.114721598812     Delta-E=       -0.000000000056 Rises=F Damp=F
 DIIS: error= 3.26D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -390.114721598812     IErMin=10 ErrMin= 3.26D-08
 ErrMax= 3.26D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.26D-12 BMatP= 2.27D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.349D-05-0.667D-04 0.722D-04 0.624D-03 0.167D-02 0.672D-05
 Coeff-Com: -0.265D-01-0.334D-01 0.151D+00 0.906D+00
 Coeff:      0.349D-05-0.667D-04 0.722D-04 0.624D-03 0.167D-02 0.672D-05
 Coeff:     -0.265D-01-0.334D-01 0.151D+00 0.906D+00
 Gap=     0.381 Goal=   None    Shift=    0.000
 RMSDP=5.81D-08 MaxDP=4.33D-06 DE=-5.59D-11 OVMax= 5.05D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  2.88D-08    CP:  1.29D+00  1.18D+00  1.08D+00  1.06D+00  1.01D+00
                    CP:  1.01D+00  1.19D+00  1.19D+00  1.15D+00  1.09D+00
 E= -390.114721598808     Delta-E=        0.000000000004 Rises=F Damp=F
 DIIS: error= 1.03D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -390.114721598812     IErMin=11 ErrMin= 1.03D-08
 ErrMax= 1.03D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.18D-14 BMatP= 1.26D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.129D-05-0.186D-04 0.323D-05 0.124D-03 0.516D-03 0.749D-03
 Coeff-Com: -0.418D-02-0.156D-01-0.111D-01 0.167D+00 0.863D+00
 Coeff:      0.129D-05-0.186D-04 0.323D-05 0.124D-03 0.516D-03 0.749D-03
 Coeff:     -0.418D-02-0.156D-01-0.111D-01 0.167D+00 0.863D+00
 Gap=     0.381 Goal=   None    Shift=    0.000
 RMSDP=9.98D-09 MaxDP=7.13D-07 DE= 3.64D-12 OVMax= 1.31D-07

 SCF Done:  E(RM11) =  -390.114721599     A.U. after   11 cycles
            NFock= 11  Conv=0.10D-07     -V/T= 2.0132
 KE= 3.850250192931D+02 PE=-2.042351313489D+03 EE= 6.962058893065D+02
 Leave Link  502 at Thu Jul 22 18:47:01 2021, MaxMem= 17179869184 cpu:            1111.6 elap:              93.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   328
 NBasis=   328 NAE=    38 NBE=    38 NFC=     0 NFV=     0
 NROrb=    328 NOA=    38 NOB=    38 NVA=   290 NVB=   290

 **** Warning!!: The largest alpha MO coefficient is  0.56390947D+02

 Leave Link  801 at Thu Jul 22 18:47:01 2021, MaxMem= 17179869184 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         7861 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   17179869184 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.093368
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          26
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.84D-13 8.33D-09 XBig12= 1.00D+00 2.16D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.84D-13 8.33D-09 XBig12= 1.13D-01 3.52D-02.
     11 vectors produced by pass  2 Test12= 1.84D-13 8.33D-09 XBig12= 1.65D-02 3.32D-02.
     11 vectors produced by pass  3 Test12= 1.84D-13 8.33D-09 XBig12= 1.82D-03 6.43D-03.
     11 vectors produced by pass  4 Test12= 1.84D-13 8.33D-09 XBig12= 1.24D-04 1.55D-03.
     11 vectors produced by pass  5 Test12= 1.84D-13 8.33D-09 XBig12= 7.11D-06 4.34D-04.
     11 vectors produced by pass  6 Test12= 1.84D-13 8.33D-09 XBig12= 2.38D-07 7.71D-05.
     11 vectors produced by pass  7 Test12= 1.84D-13 8.33D-09 XBig12= 7.38D-09 1.08D-05.
     11 vectors produced by pass  8 Test12= 1.84D-13 8.33D-09 XBig12= 1.86D-10 1.55D-06.
      9 vectors produced by pass  9 Test12= 1.84D-13 8.33D-09 XBig12= 4.15D-12 2.58D-07.
      8 vectors produced by pass 10 Test12= 1.84D-13 8.33D-09 XBig12= 7.03D-14 2.97D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.26D-14
 Solved reduced A of dimension   116 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.093368:
                1             2             3 
      1  0.127228D+03
      2 -0.753631D+01  0.119222D+03
      3  0.114252D+00  0.107448D+01  0.103999D+03
 Isotropic polarizability for W=    0.093368      116.82 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.093368:
                 1             2             3 
      1   0.123719D+02 -0.306266D+02  0.501971D+01
      2   0.197879D+02 -0.787074D+01 -0.964743D+01
      3  -0.321597D+02  0.384974D+02  0.462772D+01
      4  -0.714756D+02  0.567530D+02  0.123380D+02
      5   0.677720D+01  0.181207D+02 -0.219896D+02
      6   0.915320D+01 -0.456557D+01  0.967248D+00
 Dipole-magnetic dipole polarizability for W=    0.093368:
                 1             2             3 
      1   0.390944D+01 -0.300531D+01  0.189887D+01
      2   0.706434D+01  0.214617D+01 -0.709729D+01
      3   0.109921D+02 -0.931381D+01 -0.603657D+01
 DQ contribution to OR G for W=    0.093368:
                 1             2             3 
      1   0.578273D+01  0.508186D+01  0.375301D+02
      2  -0.175749D+01  0.318482D+01  0.101702D+02
      3  -0.408490D+02 -0.369652D+02 -0.896755D+01
 Optical Rotation G' tensor for W=    0.093368:
                 1             2             3 
      1  -0.499517D+00 -0.599210D+00 -0.363761D+01
      2  -0.599210D+00 -0.267356D+00  0.753404D+00
      3  -0.363761D+01  0.753404D+00  0.785918D+00
 OR G Eigenvalues:    -3.5510    -0.4816     4.0516  Iso=    -0.0063
 Eigenvectors:
   (1)   0.765467  -0.007944   0.643426
   (2)   0.145878   0.976032  -0.161498
   (3)  -0.626721   0.217483   0.748279
 w=    0.093368 a.u., Optical Rotation Beta=     -0.0063 au.
 Molar Mass =    136.2364 grams/mole, [Alpha] ( 4880.0 A) =       -2.63 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   53956 ScalPx= 3.22D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   53956 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.43D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.06D-14 2.78D-09 XBig12= 1.00D+00 3.33D-01.
     30 vectors produced by pass  1 Test12= 3.06D-14 2.78D-09 XBig12= 4.36D-02 3.49D-02.
     30 vectors produced by pass  2 Test12= 3.06D-14 2.78D-09 XBig12= 2.47D-03 6.12D-03.
     30 vectors produced by pass  3 Test12= 3.06D-14 2.78D-09 XBig12= 4.33D-05 7.24D-04.
     30 vectors produced by pass  4 Test12= 3.06D-14 2.78D-09 XBig12= 9.33D-07 1.03D-04.
     30 vectors produced by pass  5 Test12= 3.06D-14 2.78D-09 XBig12= 1.23D-08 1.02D-05.
     30 vectors produced by pass  6 Test12= 3.06D-14 2.78D-09 XBig12= 1.26D-10 1.22D-06.
     30 vectors produced by pass  7 Test12= 3.06D-14 2.78D-09 XBig12= 1.13D-12 1.06D-07.
     16 vectors produced by pass  8 Test12= 3.06D-14 2.78D-09 XBig12= 1.02D-14 8.96D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.22D-15
 Solved reduced A of dimension   256 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   53956 ScalPx= 2.49D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   53956 ScalPx= 2.49D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   53956 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.32D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.127228D+03 -0.753631D+01  0.114252D+00
      2  -0.753631D+01  0.119222D+03  0.107448D+01
      3   0.114252D+00  0.107448D+01  0.103999D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.390944D+01 -0.300531D+01  0.189887D+01
      2   0.706434D+01  0.214617D+01 -0.709729D+01
      3   0.109921D+02 -0.931381D+01 -0.603657D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1   0.123719D+02 -0.306266D+02  0.501971D+01
      2   0.197879D+02 -0.787074D+01 -0.964743D+01
      3  -0.321597D+02  0.384974D+02  0.462772D+01
      4  -0.714756D+02  0.567530D+02  0.123380D+02
      5   0.677720D+01  0.181207D+02 -0.219896D+02
      6   0.915320D+01 -0.456557D+01  0.967248D+00
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.163939D+01 -0.215538D+01 -0.173893D+01 -0.121273D+01  0.135821D+01
      2  -0.215538D+01 -0.151684D+01  0.118006D+01  0.135821D+01 -0.371094D+01
      3  -0.173893D+01  0.118006D+01 -0.274605D+01  0.184631D+01  0.117423D+01
                 6             7             8             9            10 
      1   0.184631D+01 -0.293756D+01  0.211712D+01 -0.336481D+01 -0.447101D-01
      2   0.117423D+01  0.211712D+01  0.245930D+01 -0.109830D+01  0.241789D+01
      3  -0.797954D-02 -0.336481D+01 -0.109830D+01 -0.656245D+00  0.183166D+01
                11            12            13            14            15 
      1   0.241789D+01  0.183166D+01  0.201918D+01 -0.314590D+01 -0.193665D+00
      2  -0.330450D+01 -0.557770D-01 -0.314590D+01 -0.671682D+01  0.657446D+00
      3  -0.557770D-01  0.194872D+01 -0.193665D+00  0.657446D+00  0.852015D+00
                16            17            18            19            20 
      1   0.222434D+01  0.165921D+00  0.202310D+01 -0.123513D+02  0.907296D+01
      2   0.165921D+00  0.137849D+01 -0.132578D+00  0.907296D+01 -0.769769D+01
      3   0.202310D+01 -0.132578D+00 -0.561905D+01  0.316013D+01 -0.523435D+00
                21            22            23            24            25 
      1   0.316013D+01  0.867188D+01 -0.773154D+01 -0.164763D+01  0.169658D+00
      2  -0.523435D+00 -0.773154D+01  0.103365D+02 -0.208597D+01  0.362881D+00
      3  -0.169595D+01 -0.164763D+01 -0.208597D+01  0.256987D+01 -0.829780D+00
                26            27            28            29            30 
      1   0.362881D+00 -0.829780D+00  0.671581D+01 -0.643785D+01 -0.547670D+01
      2  -0.191838D+01  0.105016D+01 -0.643785D+01  0.741389D+01  0.228702D+01
      3   0.105016D+01 -0.150579D+00 -0.547670D+01  0.228702D+01  0.256001D+01
                31            32            33            34            35 
      1  -0.908547D+01  0.813759D+01  0.797872D+00 -0.615116D+01  0.121143D+01
      2   0.813759D+01 -0.843324D+01  0.376827D+01  0.121143D+01  0.481467D+01
      3   0.797872D+00  0.376827D+01 -0.249713D+01  0.337561D+01 -0.310880D+01
                36            37            38            39            40 
      1   0.337561D+01  0.112110D+02 -0.556117D+01 -0.402648D+01 -0.196237D+01
      2  -0.310880D+01 -0.556117D+01  0.351172D+01 -0.269154D+00  0.269510D+01
      3  -0.854011D+00 -0.402648D+01 -0.269154D+00  0.231922D+01 -0.968892D+00
                41            42            43            44            45 
      1   0.269510D+01 -0.968892D+00 -0.657100D+01  0.100134D+00  0.316997D+01
      2   0.509037D+00  0.513203D+01  0.100134D+00  0.515402D+01  0.747616D+00
      3   0.513203D+01  0.904931D+00  0.316997D+01  0.747616D+00 -0.989930D+00
                46            47            48            49            50 
      1  -0.375574D+01  0.298375D+01  0.577982D+01  0.406854D+01 -0.440950D+01
      2   0.298375D+01 -0.237692D+01  0.127000D-01 -0.440950D+01 -0.690452D+01
      3   0.577982D+01  0.127000D-01 -0.229296D+01 -0.324732D+00 -0.156030D+00
                51            52            53            54            55 
      1  -0.324732D+00  0.104557D+02 -0.168430D+01 -0.273981D+01  0.147497D+01
      2  -0.156030D+00 -0.168430D+01  0.576753D+00  0.224507D+01 -0.303796D+01
      3   0.188781D+01 -0.273981D+01  0.224507D+01 -0.732582D+00 -0.245173D+01
                56            57            58            59            60 
      1  -0.303796D+01 -0.245173D+01 -0.323459D+01  0.570340D+01  0.776190D-01
      2   0.538362D+01 -0.201791D+00  0.570340D+01  0.380975D+01 -0.215369D+01
      3  -0.201791D+00 -0.138503D+01  0.776190D-01 -0.215369D+01  0.120620D+01
                61            62            63            64            65 
      1  -0.247586D+01 -0.615921D+00 -0.158470D+01  0.112951D+00 -0.777246D+00
      2  -0.615921D+00 -0.279264D+01  0.568945D+00 -0.777246D+00 -0.373820D+01
      3  -0.158470D+01  0.568945D+00  0.464211D+01  0.383437D+01  0.239381D+01
                66            67            68            69            70 
      1   0.383437D+01  0.590562D+00 -0.393723D+01  0.297202D+01  0.366562D+01
      2   0.239381D+01 -0.393723D+01  0.390509D+01 -0.145681D+01  0.166010D+01
      3   0.184733D+01  0.297202D+01 -0.145681D+01 -0.248042D+01  0.152451D+01
                71            72            73            74            75 
      1   0.166010D+01  0.152451D+01  0.453192D+01  0.594661D+00  0.267760D+01
      2  -0.311538D+00 -0.197663D+01  0.594661D+00  0.116704D+01  0.378277D+00
      3  -0.197663D+01 -0.150801D+01  0.267760D+01  0.378277D+00  0.243855D+01
                76            77            78            79            80 
      1  -0.547610D+00  0.769744D+00 -0.484949D+00  0.355668D+01  0.185361D+00
      2   0.769744D+00 -0.495080D-01  0.623849D+00  0.185361D+00  0.629565D+00
      3  -0.484949D+00  0.623849D+00 -0.265094D+00  0.315922D+01  0.754518D+00
                81            82            83            84            85 
      1   0.315922D+01  0.928900D+00  0.151989D+01 -0.132167D+00  0.145507D+01
      2   0.754518D+00  0.151989D+01  0.177174D+01  0.172431D+00  0.201199D+01
      3   0.429358D+01 -0.132167D+00  0.172431D+00 -0.823279D-01  0.256381D+00
                86            87            88            89            90 
      1   0.201199D+01  0.256381D+00 -0.655104D+00 -0.194558D+00 -0.193879D-01
      2   0.120148D+02  0.741675D+00 -0.194558D+00 -0.113208D+01  0.127446D+01
      3   0.741675D+00  0.980860D+00 -0.193879D-01  0.127446D+01  0.471146D+00
                91            92            93            94            95 
      1  -0.818238D+00 -0.133036D+00  0.100694D+01 -0.417003D+00  0.259376D-01
      2  -0.133036D+00  0.515766D-01 -0.260342D+00  0.259376D-01  0.831924D+00
      3   0.100694D+01 -0.260342D+00 -0.119992D+01  0.330737D-01  0.105520D+01
                96            97            98            99           100 
      1   0.330737D-01  0.125451D+01 -0.477189D-01 -0.968798D+00  0.922993D+01
      2   0.105520D+01 -0.477189D-01  0.149954D+01  0.173168D+01 -0.233038D+01
      3  -0.753954D-01 -0.968798D+00  0.173168D+01  0.865029D+01  0.279185D+01
               101           102           103           104           105 
      1  -0.233038D+01  0.279185D+01 -0.733639D+00  0.167493D+01  0.409734D+00
      2   0.173723D+01 -0.838834D+00  0.167493D+01 -0.166703D+01 -0.207043D+00
      3  -0.838834D+00  0.150718D+01  0.409734D+00 -0.207043D+00  0.465171D-01
               106           107           108           109           110 
      1   0.484952D+01 -0.731513D+00  0.141573D+01  0.965054D+00 -0.125788D+01
      2  -0.731513D+00 -0.773874D-01 -0.716092D-01 -0.125788D+01 -0.821042D+00
      3   0.141573D+01 -0.716092D-01  0.121499D+01  0.159493D+00 -0.100740D+01
               111           112           113           114           115 
      1   0.159493D+00 -0.147789D+01  0.134204D+01  0.462432D+00  0.706297D-01
      2  -0.100740D+01  0.134204D+01 -0.822481D+01 -0.300195D+01 -0.100164D+00
      3  -0.619993D+00  0.462432D+00 -0.300195D+01 -0.188335D+01 -0.206251D+00
               116           117           118           119           120 
      1  -0.100164D+00 -0.206251D+00 -0.445344D+00 -0.110681D+01 -0.525736D+00
      2  -0.392063D+01 -0.159992D+01 -0.110681D+01 -0.727298D+00 -0.354019D+00
      3  -0.159992D+01 -0.140004D+01 -0.525736D+00 -0.354019D+00 -0.650317D+00
               121           122           123           124           125 
      1  -0.162112D+01 -0.519836D+00 -0.417216D+00  0.548865D-02 -0.421549D+00
      2  -0.519836D+00 -0.525993D+01 -0.326379D+01 -0.421549D+00 -0.256085D+01
      3  -0.417216D+00 -0.326379D+01 -0.279087D+01 -0.568180D+00 -0.264895D+01
               126           127           128           129           130 
      1  -0.568180D+00 -0.246206D+01 -0.158142D+01 -0.444212D+01 -0.176598D+01
      2  -0.264895D+01 -0.158142D+01  0.126133D+01  0.249042D+00  0.197319D+01
      3  -0.369212D+01 -0.444212D+01  0.249042D+00  0.221686D+01  0.582736D+00
               131           132           133           134           135 
      1   0.197319D+01  0.582736D+00 -0.470648D+01  0.472798D+00  0.216401D+01
      2   0.660197D+01 -0.697174D+00  0.472798D+00  0.101346D+00 -0.253840D+01
      3  -0.697174D+00 -0.281498D+01  0.216401D+01 -0.253840D+01 -0.101169D+00
               136           137           138           139           140 
      1  -0.355895D+00 -0.233300D+01 -0.408390D+01 -0.331938D+01  0.292361D+01
      2  -0.233300D+01  0.128815D+01  0.203154D-01  0.292361D+01  0.639785D+01
      3  -0.408390D+01  0.203154D-01  0.222941D+01  0.249924D+00  0.850145D+00
               141           142           143           144           145 
      1   0.249924D+00 -0.543979D+01  0.732077D+00  0.310051D+01 -0.602194D+01
      2   0.850145D+00  0.732077D+00  0.439416D+00 -0.255127D+01  0.409814D+01
      3  -0.275206D+01  0.310051D+01 -0.255127D+01  0.273852D+01  0.951319D+00
               146           147           148           149           150 
      1   0.409814D+01  0.951319D+00  0.327279D+01 -0.379172D+01 -0.207854D+00
      2  -0.426254D+01 -0.487096D+00 -0.379172D+01  0.536610D+01  0.913589D+00
      3  -0.487096D+00 -0.768897D+00 -0.207854D+00  0.913589D+00  0.756505D+00
               151           152           153           154           155 
      1   0.104996D+01 -0.368709D+00 -0.989560D+00 -0.448235D+01  0.797400D+00
      2  -0.368709D+00  0.107208D+01  0.128851D+01  0.797400D+00 -0.943728D+00
      3  -0.989560D+00  0.128851D+01  0.357629D+00 -0.317473D+01  0.537852D+00
               156           157           158           159           160 
      1  -0.317473D+01 -0.938461D-01 -0.565898D+00  0.521849D-01 -0.282679D+01
      2   0.537852D+00 -0.565898D+00  0.734146D-01 -0.840213D+00  0.499686D+00
      3  -0.369249D+01  0.521849D-01 -0.840213D+00  0.496644D+00 -0.327905D+01
               161           162           163           164           165 
      1   0.499686D+00 -0.327905D+01  0.305539D+01  0.192111D+01 -0.242481D+01
      2  -0.980363D+00  0.113736D+01  0.192111D+01  0.264658D+01 -0.194927D+01
      3   0.113736D+01 -0.549360D+01 -0.242481D+01 -0.194927D+01  0.276907D+01
               166           167           168           169           170 
      1   0.118625D+01  0.193110D+01 -0.119800D+01 -0.132883D+01 -0.108264D+01
      2   0.193110D+01  0.296767D+01 -0.205232D+01 -0.108264D+01 -0.148005D+01
      3  -0.119800D+01 -0.205232D+01  0.231665D+01  0.138973D+01  0.217438D+01
               171           172           173           174           175 
      1   0.138973D+01  0.517084D+01  0.599441D+00  0.175975D+01  0.751482D+00
      2   0.217438D+01  0.599441D+00  0.879448D+00 -0.269613D+00  0.549531D+00
      3  -0.343851D+01  0.175975D+01 -0.269613D+00  0.243767D+01 -0.964498D-01
               176           177           178           179           180 
      1   0.549531D+00 -0.964498D-01  0.164940D+01 -0.468774D-02  0.149476D+01
      2  -0.397814D+00  0.474812D+00 -0.468774D-02  0.341444D+00  0.234672D+00
      3   0.474812D+00  0.557447D+00  0.149476D+01  0.234672D+00  0.217301D+01
               181           182           183           184           185 
      1  -0.462986D+00 -0.102349D+01  0.725517D+00 -0.135660D+01 -0.172199D+01
      2  -0.102349D+01 -0.907452D+00  0.153065D+00 -0.172199D+01 -0.866536D+01
      3   0.725517D+00  0.153065D+00 -0.619206D+00  0.382349D+00  0.206518D+01
               186           187           188           189           190 
      1   0.382349D+00  0.258798D+00 -0.567532D-01 -0.478524D+00 -0.380162D+01
      2   0.206518D+01 -0.567532D-01  0.130885D+00 -0.875040D+00  0.563820D+00
      3  -0.170970D+01 -0.478524D+00 -0.875040D+00  0.328254D+00  0.343209D+01
               191           192           193           194           195 
      1   0.563820D+00  0.343209D+01  0.140125D+01 -0.100495D+01 -0.104424D+01
      2  -0.110182D+01 -0.193355D+00 -0.100495D+01  0.265028D+00  0.106493D+01
      3  -0.193355D+00 -0.394195D+01 -0.104424D+01  0.106493D+01  0.216815D+01
               196           197           198           199           200 
      1   0.265541D+01 -0.277131D+00 -0.320001D+01 -0.135765D+01  0.852261D+00
      2  -0.277131D+00  0.709906D+00  0.814071D+00  0.852261D+00 -0.347426D+00
      3  -0.320001D+01  0.814071D+00  0.570698D+01 -0.138285D+01  0.325995D+00
               201           202           203           204           205 
      1  -0.138285D+01  0.164778D+01 -0.680477D+00  0.515148D+00 -0.250371D+01
      2   0.325995D+00 -0.680477D+00  0.459611D+00 -0.122972D+01  0.714594D-01
      3  -0.169703D+01  0.515148D+00 -0.122972D+01  0.162257D+01 -0.263788D+01
               206           207           208           209           210 
      1   0.714594D-01 -0.263788D+01 -0.723923D+01  0.109417D+01  0.271678D+01
      2  -0.129840D+01  0.133957D+01  0.109417D+01 -0.952413D+00 -0.425020D+00
      3   0.133957D+01 -0.575187D+01  0.271678D+01 -0.425020D+00 -0.179428D+01
               211           212           213           214           215 
      1   0.288449D+01 -0.165979D+01 -0.746457D+00  0.524514D+01 -0.505022D+00
      2  -0.165979D+01  0.365901D+00  0.609644D+00 -0.505022D+00  0.893439D+00
      3  -0.746457D+00  0.609644D+00  0.105645D+01 -0.274266D+01  0.771305D+00
               216           217           218           219           220 
      1  -0.274266D+01 -0.115673D+01 -0.121880D+01  0.218206D+00 -0.300412D+01
      2   0.771305D+00 -0.121880D+01 -0.975707D+00 -0.118145D+00 -0.347328D+01
      3   0.235392D+01  0.218206D+00 -0.118145D+00 -0.214798D+00 -0.476564D+00
               221           222           223           224           225 
      1  -0.347328D+01 -0.476564D+00  0.395732D+00 -0.273647D+00 -0.866639D+00
      2  -0.818979D+01 -0.723666D+00 -0.273647D+00 -0.494404D+00 -0.860807D+00
      3  -0.723666D+00 -0.976699D+00 -0.866639D+00 -0.860807D+00 -0.489529D+00
               226           227           228           229           230 
      1   0.299838D+01  0.243892D+01 -0.118536D+01  0.188308D+01  0.154574D+01
      2   0.243892D+01  0.256125D+01 -0.757315D+00  0.154574D+01  0.431518D+01
      3  -0.118536D+01 -0.757315D+00  0.112717D+01 -0.831134D+00 -0.126262D+01
               231           232           233           234 
      1  -0.831134D+00 -0.191034D+01 -0.121466D+01  0.165891D+01
      2  -0.126262D+01 -0.121466D+01 -0.323412D+01  0.132999D+01
      3   0.831055D+00  0.165891D+01  0.132999D+01 -0.205318D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.173423D+01 -0.143694D+01  0.340970D+01  0.529598D+00 -0.262223D+01
      2  -0.655837D+01  0.761838D+01 -0.427484D+01  0.609029D+01  0.491117D+01
      3   0.847433D+01 -0.838800D+01 -0.744089D+01 -0.216206D+01  0.553423D+01
                 6             7             8             9            10 
      1  -0.129297D+01  0.350129D+01  0.919626D+01  0.192497D+01 -0.197933D+01
      2  -0.353331D+00 -0.996927D+01 -0.593934D+01 -0.261307D+00  0.217958D+01
      3  -0.147335D+01 -0.999653D+01 -0.289612D+01 -0.277845D+01 -0.856325D+00
                11            12            13            14            15 
      1  -0.323024D+01 -0.424627D+01 -0.283670D+01 -0.109663D+02 -0.405700D+01
      2  -0.244245D+01  0.514199D+00 -0.336752D+01  0.221653D+01  0.615891D+00
      3   0.702005D+01  0.511168D+01  0.119495D+02 -0.484987D+01 -0.328554D+00
                16            17            18            19            20 
      1  -0.533816D+01  0.540018D+01  0.149698D+02 -0.223218D+01  0.204636D+01
      2  -0.506710D+01  0.711976D+00 -0.520591D+01  0.193770D+01  0.607840D+01
      3   0.636667D+01  0.422374D+00  0.348488D+01  0.314739D+01 -0.189996D+01
                21            22            23            24            25 
      1  -0.552694D+01 -0.134198D+01 -0.904797D+01  0.649660D+01 -0.806833D+01
      2  -0.408715D+01  0.259759D+01 -0.675831D+01  0.748685D+01 -0.129804D+02
      3  -0.434580D+01  0.111588D+02 -0.164567D+02  0.726004D+01  0.892170D+00
                26            27            28            29            30 
      1   0.132426D+02  0.189881D+01 -0.796283D+01 -0.336339D+00  0.501279D+01
      2   0.752802D+01 -0.259561D+01 -0.762661D+01  0.368981D+01  0.662419D+01
      3   0.293553D+01 -0.350868D+00  0.851630D+01 -0.135038D+02  0.382871D+01
                31            32            33            34            35 
      1  -0.338103D+01  0.108236D+02 -0.805688D+01  0.148982D+01 -0.468642D-01
      2  -0.218759D+01  0.143474D+02 -0.760728D+01 -0.146181D+01 -0.404946D+01
      3  -0.833114D-01  0.447458D+01 -0.115711D+02  0.841238D+01 -0.158884D+02
                36            37            38            39            40 
      1   0.295183D+01 -0.126186D+01 -0.157656D+01  0.238607D+01 -0.454366D+01
      2  -0.207390D+01  0.100251D+02 -0.663220D+01 -0.185880D+01 -0.283375D+01
      3   0.205245D+01 -0.198873D+01 -0.130569D+01  0.153502D+01  0.836746D+01
                41            42            43            44            45 
      1   0.775586D+01 -0.965974D+01  0.694004D+01 -0.407659D+01 -0.210799D+01
      2   0.361406D+01 -0.166048D+01 -0.152547D+02  0.425392D+01  0.410592D+01
      3  -0.430565D+01 -0.184274D+01  0.335192D+01  0.655757D+00 -0.250825D+01
                46            47            48            49            50 
      1   0.391046D+01 -0.580538D+00 -0.178548D+01 -0.199383D+01 -0.425332D+01
      2  -0.127954D+02  0.708044D+00  0.896036D+01  0.274365D+01 -0.887391D+00
      3   0.374904D+01 -0.100289D+02 -0.168801D+01 -0.981732D+00 -0.131456D+02
                51            52            53            54            55 
      1  -0.210339D+01 -0.389254D+01  0.819352D+01  0.549354D+00  0.346515D+01
      2  -0.386882D+01  0.263609D+01 -0.677791D+01  0.343663D+01  0.237651D+01
      3  -0.930231D+00 -0.503278D+01  0.659665D+00  0.715859D+01 -0.244477D+01
                56            57            58            59            60 
      1   0.149922D+01  0.521426D+01  0.247307D+01  0.460394D+01 -0.514251D+01
      2   0.262303D+01  0.443669D+01  0.142933D+01  0.156934D+01 -0.124878D+01
      3  -0.504675D+01 -0.427096D+01  0.339169D+01  0.135376D+02 -0.189733D+01
                61            62            63            64            65 
      1   0.311647D+01  0.223389D+01 -0.111015D+02 -0.172149D+01  0.355398D+01
      2  -0.198789D+01 -0.236957D+01 -0.565735D+01 -0.168484D+01 -0.533506D+01
      3  -0.554569D+01 -0.348574D+01 -0.329934D+01  0.924092D+00 -0.710755D+01
                66            67            68            69            70 
      1  -0.979233D+01  0.657179D+01 -0.839709D+01  0.388153D+01 -0.718436D+01
      2   0.115597D+02 -0.262940D+01 -0.670658D+01  0.845314D+01  0.384851D+01
      3   0.702159D+01 -0.611406D+00 -0.134820D+01  0.295558D+01  0.499415D+01
                71            72            73            74            75 
      1   0.769357D+01  0.835048D+01 -0.302672D+01  0.666520D+00 -0.287384D+01
      2   0.636533D+01  0.649394D+01  0.270436D+01  0.111869D+01  0.581606D+01
      3   0.191897D+01  0.190977D+01  0.393433D+01 -0.343177D+01  0.258321D+01
                76            77            78            79            80 
      1   0.434312D+00 -0.196031D+00 -0.795338D-01 -0.319558D+01  0.129069D+01
      2  -0.573649D+00  0.727314D+00 -0.723425D+00  0.307391D+01  0.187270D+01
      3  -0.513518D+00  0.216965D+01 -0.146667D+01  0.450136D+01 -0.238519D+01
                81            82            83            84            85 
      1  -0.451217D+01  0.180130D+01  0.191193D+01  0.120759D+00  0.121200D+01
      2   0.895617D+01 -0.101132D+01 -0.117542D+01  0.142166D+01 -0.154069D+01
      3   0.262370D+01  0.193774D+01  0.558939D+00 -0.682341D+00  0.526213D+01
                86            87            88            89            90 
      1   0.983408D+01 -0.446194D+01  0.116824D+00 -0.243784D+01  0.300211D+00
      2  -0.144630D+01  0.771776D+00 -0.653893D-01  0.550020D+00  0.181257D+00
      3  -0.295494D+01  0.410433D+00 -0.186189D+01  0.413919D+00 -0.649980D+00
                91            92            93            94            95 
      1  -0.255517D+01 -0.361906D+00  0.268393D+01 -0.555797D+00 -0.153597D+01
      2   0.148477D+01  0.449155D+00 -0.798206D+00  0.102787D+01  0.606817D+00
      3  -0.224674D+01 -0.215526D+01  0.193556D+01 -0.679853D+00  0.742948D+00
                96            97            98            99           100 
      1   0.129199D+01  0.253334D+01  0.146074D+01 -0.180406D+02  0.698486D+01
      2  -0.412271D+00 -0.512973D+01  0.712728D+00  0.562580D+01  0.100158D+02
      3  -0.569738D+00  0.339671D+01 -0.679550D+00 -0.225532D+01 -0.108857D+02
               101           102           103           104           105 
      1  -0.108131D+01  0.337425D+01  0.248890D+00  0.324819D+00 -0.149551D+00
      2  -0.458582D+01  0.800580D+01  0.117609D+01 -0.118413D+01  0.547867D+00
      3  -0.316578D+01 -0.336155D+01 -0.196675D+01  0.966495D+00 -0.120419D+00
               106           107           108           109           110 
      1   0.332556D+01  0.709534D+00  0.197200D+01  0.198384D+01 -0.185272D+01
      2   0.241374D+01  0.199328D+01  0.527244D+01 -0.202400D+00 -0.259750D+01
      3  -0.818651D+01  0.119630D+01 -0.179720D+01  0.295846D+01  0.357007D+01
               111           112           113           114           115 
      1  -0.180491D+01  0.156442D+01 -0.266300D+01 -0.536868D+01 -0.205765D+01
      2  -0.920773D+00 -0.111477D+01 -0.695265D+01 -0.395658D+01 -0.826909D+00
      3   0.233129D+01  0.217591D+01  0.190664D+02  0.748324D+01  0.906062D+00
               116           117           118           119           120 
      1   0.109428D+01 -0.355676D+01  0.100696D+01  0.590023D+00 -0.404353D-01
      2  -0.496834D+01 -0.276680D+01 -0.413252D+00 -0.106121D+01  0.551035D+00
      3   0.114521D+02  0.410827D+01 -0.429485D-01 -0.265590D+00  0.157312D+00
               121           122           123           124           125 
      1  -0.145553D+00  0.577354D+01 -0.836360D+00 -0.511315D-01  0.304018D+01
      2  -0.291693D+01 -0.288053D+00  0.265454D+00 -0.240136D+01 -0.404857D+00
      3   0.472460D+01 -0.480694D-01  0.708434D-01  0.108563D+01 -0.211722D-01
               126           127           128           129           130 
      1  -0.816203D+00 -0.871192D+01  0.240170D+01  0.297820D+01  0.554045D+01
      2  -0.302907D+00  0.124910D+02  0.121936D+01  0.102599D+02  0.220978D+01
      3   0.138366D+00  0.203482D+01  0.970962D+00  0.657922D+01  0.607215D+01
               131           132           133           134           135 
      1   0.147216D+02 -0.879057D+01  0.319758D+01 -0.398071D+00 -0.616758D+01
      2  -0.236715D+01  0.262265D+01  0.483351D+01  0.280409D+01 -0.404040D+01
      3   0.676671D+01 -0.924335D+00  0.634561D+01  0.719191D-02 -0.561047D+01
               136           137           138           139           140 
      1  -0.205167D+01 -0.213834D+00  0.261399D+01 -0.140756D+01 -0.152012D+01
      2   0.114782D+02 -0.161136D+01 -0.776846D+01 -0.233043D+01 -0.180015D+01
      3  -0.799872D+01  0.483750D+01  0.310472D+01  0.143444D+02  0.192513D+02
               141           142           143           144           145 
      1  -0.524156D+01  0.397195D+01 -0.640063D+00  0.391972D+01 -0.165100D+01
      2   0.897102D+01 -0.180840D+02  0.850231D+01 -0.100509D+02  0.254910D-01
      3   0.332938D+01  0.351574D+01  0.261640D+01 -0.113813D+02 -0.754246D+01
               146           147           148           149           150 
      1   0.249941D+00  0.284029D+01  0.303309D+00 -0.137589D+01 -0.381554D+01
      2   0.424815D+00  0.316129D+01 -0.447231D+00 -0.504499D+00 -0.215252D+01
      3  -0.342378D+00  0.104907D+01  0.429784D+01  0.180090D+00  0.274865D+00
               151           152           153           154           155 
      1   0.202465D+01 -0.964758D+00 -0.623216D+00  0.286529D+01  0.269268D+01
      2  -0.969470D-01 -0.134719D+01 -0.519284D+00 -0.955775D+01  0.500423D+00
      3   0.175068D+01  0.899921D+00 -0.382251D+00 -0.572452D+01 -0.162446D+01
               156           157           158           159           160 
      1   0.403293D+01  0.133488D+01  0.145240D+01 -0.245390D+00  0.343087D+01
      2  -0.281353D+01 -0.352500D+00 -0.788305D+00 -0.734299D+00 -0.626463D+01
      3  -0.328142D+01  0.837603D+00 -0.235787D+00 -0.514041D+00 -0.323364D+01
               161           162           163           164           165 
      1   0.234004D+01  0.370244D+01 -0.150592D+01 -0.453853D+01 -0.448077D+00
      2  -0.177699D+00 -0.249636D+01  0.960729D+01  0.484977D+01 -0.402925D+01
      3  -0.106387D+01 -0.316692D+01  0.586905D+01  0.177189D+01 -0.337861D+01
               166           167           168           169           170 
      1  -0.253411D+01 -0.409091D+01 -0.104963D+01  0.131309D+00  0.212123D+01
      2   0.427217D+01  0.494902D+01 -0.306366D+01 -0.464377D+01 -0.314242D+01
      3   0.431368D+01  0.214697D+01 -0.213258D+01 -0.272679D+01 -0.672790D+00
               171           172           173           174           175 
      1   0.148472D+00  0.408431D+01  0.317311D+01  0.196213D+01  0.223503D+01
      2   0.331132D+01 -0.173314D+02 -0.165537D+01 -0.372503D+01 -0.194908D+01
      3   0.256273D+01 -0.708077D+01 -0.204050D+01 -0.248806D+01  0.690998D+00
               176           177           178           179           180 
      1   0.591142D+00  0.554366D+00  0.219250D+01  0.214794D+01  0.255815D+01
      2  -0.184277D+01 -0.649528D+00 -0.675789D+01 -0.684288D+00 -0.409098D+01
      3  -0.992501D+00  0.943225D-01 -0.237844D+01 -0.705908D+00 -0.155051D+01
               181           182           183           184           185 
      1  -0.125373D+01 -0.171140D+01 -0.700764D+00 -0.306959D+01 -0.161525D+02
      2  -0.600494D+00  0.131837D+01  0.504408D+00  0.259977D+01 -0.142622D+00
      3  -0.117763D+01 -0.774667D+00 -0.616913D-01  0.291480D+01 -0.875488D+01
               186           187           188           189           190 
      1  -0.114571D+01 -0.512857D+00  0.481858D+00 -0.161288D+01  0.514314D+01
      2   0.183722D+01 -0.823802D+00  0.450182D+00  0.671249D+00  0.430227D+01
      3   0.212736D+01 -0.595547D-01 -0.109371D+00 -0.207460D+00  0.379174D+01
               191           192           193           194           195 
      1  -0.384226D+01 -0.470436D+01 -0.296285D+01  0.220697D+01  0.327616D+01
      2  -0.119964D+01 -0.916851D-01 -0.227057D+01  0.282818D+00 -0.127261D+01
      3  -0.352954D+01 -0.341942D+01 -0.146201D+01  0.146032D+01  0.195998D+01
               196           197           198           199           200 
      1  -0.416359D+01  0.444930D+01  0.755051D+01 -0.172535D+01  0.737553D+00
      2  -0.459044D+01 -0.157585D+00 -0.868150D+00  0.348948D+01 -0.188604D+00
      3  -0.290677D+01  0.213969D+01  0.392570D+01  0.313247D+01 -0.202322D+01
               201           202           203           204           205 
      1  -0.108178D+01  0.449201D+00 -0.178222D+01  0.139613D+01 -0.137212D+01
      2   0.498506D+01  0.576706D+00  0.377417D+01 -0.603702D+01  0.311271D+01
      3   0.176540D+01 -0.117936D+01  0.248952D+01 -0.427827D+01  0.118462D+01
               206           207           208           209           210 
      1   0.434475D+01 -0.522568D+01  0.178336D+01 -0.767624D+00 -0.928455D+00
      2  -0.525963D+01  0.178203D+02 -0.969665D+01  0.165585D+01  0.913536D+01
      3  -0.540988D+01  0.636880D+01  0.825424D+01 -0.606663D+01 -0.305025D+01
               211           212           213           214           215 
      1  -0.185986D+00  0.789552D+00 -0.324558D+00 -0.169182D+01  0.167127D+01
      2   0.267098D+01 -0.231584D+01 -0.425694D+01  0.789146D+01 -0.290379D+01
      3  -0.470448D+01  0.240762D+01  0.216060D+01 -0.401274D+01  0.425333D+01
               216           217           218           219           220 
      1   0.982300D+00  0.597643D+00  0.317767D+00 -0.398376D+00  0.472603D+00
      2  -0.905203D+01 -0.738041D+00 -0.145097D-01  0.182159D+01  0.280398D+00
      3   0.419720D+01 -0.326276D+01 -0.351882D+01 -0.600967D+00 -0.463019D+01
               221           222           223           224           225 
      1   0.280578D+01 -0.349565D+01 -0.498297D+00  0.314776D+00 -0.326091D+00
      2   0.102519D+01  0.347103D+01  0.165683D+01  0.182927D+01  0.121853D+01
      3  -0.234664D+02 -0.173468D+01 -0.109023D+01 -0.160954D+01 -0.172642D+01
               226           227           228           229           230 
      1   0.227862D+01  0.168942D+01 -0.229728D+01  0.151690D+01  0.238213D+01
      2  -0.382879D+01 -0.321678D+01  0.461459D+01 -0.316051D+01 -0.403909D+01
      3  -0.170505D+01 -0.213344D+01  0.529582D+00  0.208588D+01 -0.840231D+01
               231           232           233           234 
      1  -0.358389D+01 -0.171268D+01 -0.323910D+01  0.284920D+01
      2   0.295465D+01  0.332645D+01  0.437478D+01 -0.718000D+01
      3   0.172572D+01  0.327856D+00  0.535642D+01 -0.865747D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.625473D+01 -0.106797D+02 -0.604443D+01 -0.465485D+01 -0.112408D+00
      2   0.552435D+01  0.684970D+01  0.875059D+01  0.216643D+01  0.194963D+01
      3   0.730383D+00  0.382999D+01 -0.270617D+01  0.248842D+01 -0.183722D+01
      4  -0.794750D+01 -0.175632D+02  0.338737D+01 -0.274976D+01 -0.208583D+02
      5  -0.897274D+01  0.117737D+01 -0.167134D+02  0.678708D+01  0.474879D+01
      6  -0.163513D+01  0.716839D+01 -0.299401D+01  0.512079D+01  0.435440D+01
                 6             7             8             9            10 
      1   0.762814D+01 -0.713454D+01  0.817844D+01 -0.135744D+02 -0.718917D+01
      2  -0.260404D+01  0.109121D+02 -0.590670D+00  0.110548D+02  0.656662D+01
      3  -0.502411D+01 -0.377757D+01 -0.758776D+01  0.251959D+01  0.622546D+00
      4   0.810411D+01  0.842083D+01  0.166080D+02 -0.116005D+02 -0.433106D-01
      5   0.147872D+01 -0.202822D+02 -0.514766D+01 -0.856741D+01  0.220632D+01
      6  -0.226848D+01 -0.597417D+01 -0.597057D+01  0.868295D+00  0.835087D+01
                11            12            13            14            15 
      1   0.100034D+02 -0.161113D+01  0.124720D+02  0.211230D+02 -0.293585D+01
      2  -0.139552D+02 -0.562634D+00 -0.149763D+02 -0.440133D+02  0.961917D+00
      3   0.395180D+01  0.217377D+01  0.250426D+01  0.228903D+02  0.197394D+01
      4  -0.934368D+00  0.248379D+01  0.136557D+01 -0.140563D+02 -0.734687D+00
      5   0.135996D+01  0.192759D+01  0.993778D+00 -0.356358D+01  0.579778D+00
      6  -0.177718D+01  0.709257D+01 -0.347880D+01 -0.373707D+01  0.382716D+01
                16            17            18            19            20 
      1  -0.204443D+01 -0.422767D+01  0.147973D+02 -0.187556D+02  0.975590D+01
      2  -0.264362D+01  0.105569D+02  0.887640D+01 -0.587259D+01  0.105411D+02
      3   0.468805D+01 -0.632925D+01 -0.236737D+02  0.246281D+02 -0.202970D+02
      4   0.258082D+01 -0.124541D+01  0.427536D+01  0.522262D+02 -0.379378D+02
      5   0.364432D+01  0.968193D+00  0.291739D+01  0.196801D+02 -0.754636D+01
      6   0.661158D+01  0.179651D+01 -0.171143D+02 -0.103939D+02  0.265955D+01
                21            22            23            24            25 
      1   0.111993D+02  0.217243D+02 -0.167349D+02 -0.925613D+01  0.147011D+00
      2  -0.672588D+01 -0.205645D+01 -0.885050D+01  0.138144D+02 -0.126932D+01
      3  -0.447342D+01 -0.196679D+02  0.255854D+02 -0.455826D+01  0.112231D+01
      4  -0.820443D+01 -0.453972D+02  0.584354D+02 -0.172636D+01 -0.397267D+01
      5  -0.790077D+01 -0.165526D+02  0.272015D+01  0.145840D+02  0.788053D+01
      6   0.908955D+01  0.592058D+01  0.181987D+01 -0.533285D+01  0.136335D+01
                26            27            28            29            30 
      1  -0.294187D+01 -0.374936D+01  0.665251D+01 -0.106762D+02 -0.216675D+02
      2   0.652201D+01 -0.864600D+01  0.506558D+01 -0.811352D+01  0.141353D+02
      3  -0.358014D+01  0.123954D+02 -0.117181D+02  0.187897D+02  0.753224D+01
      4  -0.453924D+01  0.923161D+01 -0.343155D+02  0.432596D+02  0.195058D+02
      5   0.229827D+01 -0.535471D+01 -0.397843D+02  0.164670D+02  0.165219D+02
      6   0.526927D+01 -0.138306D+01  0.203015D+02 -0.124735D+02 -0.847130D+01
                31            32            33            34            35 
      1  -0.147355D+02  0.195941D+02  0.161451D+02 -0.349034D+02  0.240059D+02
      2  -0.901098D+01  0.606221D+01 -0.207964D+02  0.230244D+02 -0.290602D+02
      3   0.237465D+02 -0.256563D+02  0.465126D+01  0.118790D+02  0.505428D+01
      4   0.499688D+02 -0.493186D+02  0.930439D+01  0.155642D+02  0.114025D+02
      5   0.745760D+01  0.100627D+02 -0.112854D+02  0.238290D+02 -0.176225D+02
      6  -0.418467D+01 -0.194271D+02  0.680574D+01 -0.137763D+02  0.137029D+02
                36            37            38            39            40 
      1   0.347389D+01  0.575569D+01 -0.567544D+01  0.267082D+01 -0.889073D+01
      2  -0.450227D+01  0.380510D+01 -0.208083D+00 -0.480203D+01 -0.807861D+00
      3   0.102838D+01 -0.956078D+01  0.588353D+01  0.213121D+01  0.969859D+01
      4  -0.168901D+02 -0.304845D+02  0.124060D+02  0.595366D+01  0.453784D+01
      5  -0.107464D+02 -0.372410D+01  0.114459D+01  0.496567D+00  0.239438D+01
      6  -0.142481D+01  0.498185D+01 -0.748293D+01 -0.400019D+01 -0.736358D+01
                41            42            43            44            45 
      1   0.225485D+02  0.654759D+01  0.119894D+02  0.347194D+01  0.441663D+01
      2  -0.457541D+01 -0.305017D+01 -0.735446D+01 -0.607075D+01 -0.297300D+00
      3  -0.179731D+02 -0.349742D+01 -0.463494D+01  0.259880D+01 -0.411934D+01
      4  -0.858816D+01 -0.125879D+01  0.120324D+02 -0.428354D+01 -0.718577D+01
      5  -0.511744D+01  0.222317D+01 -0.433646D+01  0.310334D+01 -0.137234D+01
      6  -0.247607D+01 -0.179715D+02 -0.253967D+01 -0.152335D+02 -0.934839D+00
                46            47            48            49            50 
      1  -0.138756D+02 -0.489147D+01 -0.126298D+02 -0.247329D+01  0.262902D+01
      2   0.143959D+01  0.242052D+01  0.102865D+02  0.505099D+01 -0.272565D+01
      3   0.124361D+02  0.247095D+01  0.234337D+01 -0.257770D+01  0.966302D-01
      4   0.273972D+01  0.208832D+01 -0.898393D+01 -0.810204D-02  0.185571D+02
      5  -0.123320D+02 -0.137730D+01  0.668646D+01 -0.784688D+00 -0.209158D+01
      6  -0.595105D+01  0.356098D+00  0.412288D+01  0.835844D+00 -0.704645D+01
                51            52            53            54            55 
      1  -0.607579D+01 -0.161242D+02 -0.462028D+01  0.900074D+01 -0.291908D+01
      2  -0.161440D+01  0.119963D+02  0.172139D+01 -0.592081D+01 -0.837568D+01
      3   0.769019D+01  0.412788D+01  0.289889D+01 -0.307994D+01  0.112948D+02
      4  -0.137832D+01 -0.182012D+02  0.635197D+00  0.266927D+01  0.156057D+02
      5  -0.446713D+01  0.797909D+01 -0.430397D+01  0.259342D+01  0.365557D+01
      6   0.135578D+01  0.438395D+01 -0.123898D+01  0.522423D+00 -0.551750D+01
                56            57            58            59            60 
      1  -0.339378D+00  0.332301D+01 -0.191800D+01 -0.137664D+02  0.120027D+01
      2   0.132888D+02 -0.477350D+01  0.101805D+02  0.831319D+01 -0.551955D+00
      3  -0.129494D+02  0.145049D+01 -0.826247D+01  0.545321D+01 -0.648314D+00
      4  -0.214563D+02 -0.476186D+01 -0.195755D+02  0.976204D+01  0.528399D+01
      5  -0.307575D+01 -0.816579D+00 -0.477791D+01  0.597480D+01  0.221915D+01
      6  -0.163524D+01 -0.733432D+01  0.320012D+00  0.407036D+01 -0.889343D+00
                61            62            63            64            65 
      1   0.332413D+01  0.404186D+01  0.262441D+01  0.585846D+01  0.954636D+01
      2  -0.292929D+01 -0.865759D+01  0.457722D+01  0.614359D+01 -0.590229D+01
      3  -0.394834D+00  0.461573D+01 -0.720163D+01 -0.120021D+02 -0.364407D+01
      4  -0.264965D+01  0.665530D+01 -0.346385D+01 -0.152360D+00 -0.510066D+01
      5   0.723949D+00 -0.694372D+00 -0.170150D+01 -0.488292D+01  0.704187D+01
      6  -0.621435D+01  0.238464D+01  0.103660D+02  0.117015D+02  0.141831D+02
                66            67            68            69            70 
      1  -0.306431D+01  0.136375D+02 -0.982025D+01 -0.147543D+01 -0.793435D+00
      2   0.139848D+02 -0.320189D+01  0.336034D+01 -0.593259D+01  0.118022D+02
      3  -0.109205D+02 -0.104356D+02  0.645992D+01  0.740802D+01 -0.110088D+02
      4   0.680200D+01 -0.305353D+01 -0.361918D+01  0.351021D+01  0.802206D+00
      5  -0.164902D+02  0.225840D+01  0.878971D+01 -0.884604D+01 -0.146004D+02
      6  -0.164371D+01  0.130489D+02 -0.122008D+02  0.896905D-01  0.203792D+01
                71            72            73            74            75 
      1  -0.457089D+01 -0.597696D+01  0.234925D+02  0.241966D+01  0.115833D+02
      2   0.411117D+00 -0.243524D+01 -0.180817D+02 -0.184323D+01 -0.120641D+02
      3   0.415978D+01  0.841220D+01 -0.541079D+01 -0.576426D+00  0.480848D+00
      4   0.501555D+01  0.263216D+01  0.849121D+01  0.857389D+01  0.541090D+01
      5  -0.308015D+01 -0.463420D+01  0.208287D+02  0.291669D+01  0.181720D+02
      6  -0.257532D+01  0.951087D+00  0.257871D+01  0.147450D+01  0.326143D+01
                76            77            78            79            80 
      1  -0.374275D+01  0.154328D+01 -0.244494D+01  0.131593D+02 -0.610775D+00
      2   0.380766D+01 -0.115646D+01  0.325934D+01 -0.146407D+02 -0.194207D-01
      3  -0.649050D-01 -0.386823D+00 -0.814398D+00  0.148146D+01  0.630196D+00
      4   0.602590D+01  0.849250D+00  0.283454D+01  0.616033D+01  0.344576D+01
      5  -0.267229D+01  0.412391D+01 -0.217940D+01  0.220202D+02  0.452990D+01
      6   0.208854D+01  0.595843D-01  0.385328D+01  0.374283D+01  0.470485D+01
                81            82            83            84            85 
      1   0.735118D+01 -0.656037D+00 -0.250174D+01 -0.323129D+00 -0.377028D+01
      2  -0.162581D+02  0.706035D+01  0.844093D+01  0.768864D+00  0.971867D+01
      3   0.890692D+01 -0.640431D+01 -0.593920D+01 -0.445734D+00 -0.594839D+01
      4   0.774279D+01  0.667473D+01  0.134905D+02  0.544067D+00  0.109660D+02
      5   0.260445D+02  0.145063D+01  0.228177D+01  0.181320D+01  0.196582D+01
      6   0.514314D+01  0.747495D+00  0.231468D+01  0.573611D+00  0.313912D+01
                86            87            88            89            90 
      1  -0.395264D+02 -0.315062D+01  0.232059D+00  0.222413D+01 -0.579538D+01
      2   0.734189D+02  0.295373D+01 -0.758859D+00 -0.728113D+01  0.513477D+01
      3  -0.338925D+02  0.196896D+00  0.526800D+00  0.505700D+01  0.660608D+00
      4   0.221221D+02  0.189768D+01 -0.163549D+01 -0.201596D+01  0.160921D+01
      5   0.289113D+01  0.176815D+01  0.895938D+00  0.198378D+01 -0.102731D+00
      6   0.140409D+02  0.865258D+01  0.403763D+00  0.866748D+01  0.164359D+01
                91            92            93            94            95 
      1  -0.108410D+01  0.718839D+00  0.355926D+01 -0.160591D+01 -0.600244D+01
      2  -0.368233D+01 -0.530881D-01  0.924541D-01  0.736629D+00  0.515080D+01
      3   0.476643D+01 -0.665751D+00 -0.365171D+01  0.869281D+00  0.851634D+00
      4  -0.209811D+01  0.283144D+01  0.314291D+01  0.459825D+00  0.144315D+00
      5  -0.194168D+01  0.805456D+00  0.621486D+01 -0.347517D+00  0.397047D-01
      6   0.246061D+01 -0.218831D+01 -0.447369D+01 -0.837176D+00  0.413985D+01
                96            97            98            99           100 
      1  -0.196112D+01  0.428838D+01 -0.773326D+01 -0.254299D+02  0.613723D+02
      2   0.386484D+01  0.107839D+01  0.258103D+01 -0.133738D+02 -0.285217D+02
      3  -0.190372D+01 -0.536677D+01  0.515222D+01  0.388037D+02 -0.328506D+02
      4  -0.207259D-01  0.339452D+01  0.103432D+00 -0.288921D+00 -0.316052D+02
      5  -0.366307D+00  0.508213D+01  0.658558D+00  0.208365D+01  0.168991D+02
      6   0.544784D+01 -0.285856D+01  0.117419D+02  0.290447D+02 -0.101396D+02
               101           102           103           104           105 
      1  -0.105440D+02  0.143476D+02 -0.342474D+00  0.560632D+01  0.823140D+00
      2   0.138472D+01 -0.723260D+01 -0.449847D+01  0.209153D+01 -0.323499D+00
      3   0.915929D+01 -0.711499D+01  0.484094D+01 -0.769785D+01 -0.499641D+00
      4   0.168633D+02 -0.959185D+01  0.134506D+02 -0.107533D+02 -0.253468D-01
      5  -0.567444D+01  0.109933D+02  0.272381D+01 -0.918803D+00 -0.187410D+00
      6   0.415364D+01 -0.577187D+01 -0.417875D+00  0.143068D+01  0.149802D+01
               106           107           108           109           110 
      1   0.287640D+02 -0.710768D+01  0.825030D+01  0.264563D+01 -0.102823D+02
      2  -0.160645D+02  0.393250D+01 -0.630779D+01  0.284308D+01  0.725409D+01
      3  -0.126995D+02  0.317518D+01 -0.194251D+01 -0.548871D+01  0.302819D+01
      4  -0.128355D+02  0.284694D+01 -0.379150D+01 -0.561013D+01  0.488294D+01
      5   0.952366D+01 -0.531157D+00  0.993102D+01  0.162099D+01 -0.226332D+01
      6  -0.425674D+01  0.149731D+01 -0.407913D+01  0.274802D+00  0.560284D+01
               111           112           113           114           115 
      1  -0.241342D+01 -0.321714D+01 -0.254756D+02 -0.989821D+01  0.157572D+01
      2   0.218042D+01 -0.178574D+01  0.423437D+02  0.121240D+02 -0.271941D+01
      3   0.233003D+00  0.500288D+01 -0.168681D+02 -0.222579D+01  0.114370D+01
      4  -0.212880D+01  0.122634D+02 -0.306170D+02 -0.112537D+02  0.159094D+00
      5  -0.112135D+01  0.381254D+01 -0.134069D+02 -0.853948D+01  0.187232D+00
      6   0.328739D+01 -0.371419D+01  0.213706D+02  0.129342D+02  0.297710D+00
               116           117           118           119           120 
      1  -0.154965D+02 -0.909080D+01 -0.283585D+00 -0.132881D+01 -0.146953D+01
      2   0.194273D+02  0.736817D+01  0.322792D+00  0.482342D+00  0.171820D+00
      3  -0.393082D+01  0.172263D+01 -0.392069D-01  0.846465D+00  0.129771D+01
      4  -0.114937D+02 -0.449017D+01  0.213942D+01  0.685974D+01  0.318691D+01
      5  -0.594003D+01 -0.476112D+01  0.817744D+00  0.420947D+01  0.516075D+01
      6   0.116855D+02  0.990543D+01  0.504899D+01  0.193685D+01  0.254837D+01
               121           122           123           124           125 
      1  -0.243188D+01 -0.173002D+02 -0.122811D+02 -0.501307D+00 -0.997883D+01
      2   0.138413D+01  0.143356D+02  0.509903D+01  0.267091D+00  0.233116D+01
      3   0.104775D+01  0.296457D+01  0.718210D+01  0.234216D+00  0.764767D+01
      4   0.618435D+01  0.476728D+01  0.261544D+01  0.867767D+00  0.223974D+01
      5   0.342030D+01  0.140788D+01  0.173470D+01  0.312537D+01  0.137460D+01
      6   0.201592D+01  0.216773D+02  0.182061D+02  0.236827D+01  0.158202D+02
               126           127           128           129           130 
      1  -0.145499D+02  0.108103D+02  0.440295D+01  0.561251D+01  0.568030D+01
      2  -0.996738D+00  0.110703D+02 -0.671581D+01 -0.122782D+02 -0.117904D+02
      3   0.155467D+02 -0.218806D+02  0.231286D+01  0.666564D+01  0.611010D+01
      4   0.317924D+01  0.756328D+01  0.608047D+00  0.381165D+01 -0.948501D+00
      5   0.155308D+01  0.511725D+01 -0.517557D+01 -0.200494D+02 -0.658240D+01
      6   0.159977D+02 -0.496303D+00  0.389390D+01  0.134516D+01  0.537837D+01
               131           132           133           134           135 
      1   0.875191D+01  0.268364D+01  0.633684D+01  0.542610D+01 -0.119834D+02
      2  -0.228806D+02  0.125383D+02 -0.115859D+02  0.510968D+01  0.123230D+02
      3   0.141287D+02 -0.152220D+02  0.524905D+01 -0.105358D+02 -0.339552D+00
      4  -0.171043D+02  0.153975D+01  0.544861D+01 -0.904849D-01  0.171609D+01
      5   0.398472D+01  0.943408D+01 -0.198605D+02  0.598697D+01  0.991813D+01
      6   0.204449D+02  0.994682D+00  0.105147D+01  0.478938D+01 -0.119890D+02
               136           137           138           139           140 
      1   0.120793D+01  0.156769D+02  0.235394D+02  0.213411D+02  0.103639D+01
      2   0.179362D+01 -0.118288D+02 -0.113520D+02 -0.191477D+02 -0.141330D+02
      3  -0.300155D+01 -0.384806D+01 -0.121874D+02 -0.219336D+01  0.130966D+02
      4   0.153383D+02 -0.502615D+01  0.241412D+01 -0.111468D+02 -0.341995D+02
      5   0.245337D+02 -0.835790D+00 -0.136394D+02 -0.234278D+01 -0.408846D+01
      6   0.405746D+01 -0.771691D+00 -0.141115D+01 -0.198177D+01 -0.558984D+01
               141           142           143           144           145 
      1  -0.122912D+01  0.293840D+02 -0.174082D+01 -0.178148D+02  0.146631D+02
      2  -0.222829D+01 -0.140626D+02 -0.216599D+01  0.161364D+02  0.398826D+01
      3   0.345741D+01 -0.153213D+02  0.390681D+01  0.167835D+01 -0.186514D+02
      4  -0.350666D+01  0.323105D+01 -0.330128D+01  0.116467D+02 -0.297089D+02
      5   0.146425D+02 -0.193612D+02  0.135944D+02 -0.146731D+02 -0.375333D+01
      6   0.204716D+01 -0.167279D+01  0.246770D+01 -0.110442D+01  0.199989D+01
               146           147           148           149           150 
      1  -0.453885D+01 -0.180696D+01 -0.130789D+01 -0.409862D+01 -0.743203D+00
      2  -0.109549D+02  0.763029D-01 -0.116962D+02  0.221914D+02  0.297670D+01
      3   0.154938D+02  0.173065D+01  0.130041D+02 -0.180928D+02 -0.223349D+01
      4   0.267496D+02  0.370331D+01  0.230871D+02 -0.266468D+02 -0.334019D+01
      5   0.220168D+01  0.538426D+01  0.177949D+01 -0.261250D+01 -0.252156D+01
      6  -0.159209D+01 -0.321165D+01 -0.133406D+01  0.259050D+01  0.599251D+01
               151           152           153           154           155 
      1  -0.157187D+01 -0.697157D+00 -0.977268D+00  0.368046D+01  0.189690D+01
      2   0.604297D-01  0.331541D+01  0.231293D+01 -0.122501D+02 -0.260528D+00
      3   0.151144D+01 -0.261825D+01 -0.133566D+01  0.856965D+01 -0.163637D+01
      4   0.376269D+01 -0.370866D+01 -0.566792D+01 -0.473242D+01  0.446987D+01
      5   0.570479D+01 -0.428172D+01 -0.215773D+01  0.195857D+02 -0.460822D+01
      6  -0.413272D+01  0.766403D+01  0.121610D+01 -0.855297D+01  0.467933D+01
               156           157           158           159           160 
      1  -0.348969D+01 -0.711428D+00 -0.732441D+00  0.130408D+01 -0.284134D+01
      2  -0.119173D+02 -0.101701D+01 -0.127929D+01 -0.158588D+01 -0.108737D+02
      3   0.154070D+02  0.172844D+01  0.201174D+01  0.281803D+00  0.137151D+02
      4  -0.517177D+01  0.488061D+01 -0.147435D+01  0.264518D+01 -0.402438D+01
      5   0.184002D+02 -0.132774D+01  0.365910D+01 -0.111002D+01  0.166919D+02
      6  -0.870511D+01  0.317880D+01 -0.223942D+01  0.706822D+01 -0.663079D+01
               161           162           163           164           165 
      1   0.344916D+01 -0.110577D+02 -0.323189D+01 -0.730585D+01  0.815586D+01
      2   0.824272D+00 -0.164284D+02 -0.149396D+01  0.438953D+01  0.122593D+01
      3  -0.427343D+01  0.274861D+02  0.472586D+01  0.291631D+01 -0.938179D+01
      4   0.233131D+01 -0.400187D+01  0.860392D+01  0.805571D+01 -0.670070D+01
      5  -0.294651D+01  0.201991D+02 -0.114607D+02 -0.754103D+01  0.123455D+02
      6   0.741617D+01 -0.123865D+02 -0.989877D+01 -0.129901D+02  0.118805D+02
               166           167           168           169           170 
      1  -0.485613D+01 -0.102552D+02  0.882578D+01  0.413457D+01  0.753289D+01
      2   0.303683D+01  0.972949D+01 -0.195630D+01  0.701799D+00 -0.277458D+00
      3   0.181929D+01  0.525679D+00 -0.686948D+01 -0.483637D+01 -0.725543D+01
      4   0.709364D+01  0.610906D+01 -0.451913D+01 -0.429568D+01 -0.398185D+01
      5  -0.528292D+01 -0.680205D+01  0.498912D+01  0.869104D+01  0.469256D+01
      6  -0.855858D+01 -0.142302D+02  0.142061D+02  0.632661D+01  0.118981D+02
               171           172           173           174           175 
      1  -0.109448D+02 -0.464002D+01  0.816491D+00 -0.934302D+01 -0.644596D+00
      2  -0.327113D+01 -0.433354D+01 -0.575278D+00 -0.362719D+01  0.888193D+00
      3   0.142159D+02  0.897356D+01 -0.241213D+00  0.129702D+02 -0.243597D+00
      4   0.465218D+01 -0.884235D+01  0.547898D+00 -0.222142D+01  0.116932D+01
      5  -0.777083D+01  0.136715D+02  0.166876D+01  0.788153D+01  0.198331D+01
      6  -0.146164D+02 -0.971268D-01  0.407712D+01 -0.478787D+01  0.240228D+01
               176           177           178           179           180 
      1  -0.297306D+01 -0.498137D+00 -0.591088D+01 -0.348155D+00 -0.682430D+01
      2   0.288631D+01 -0.267596D+01 -0.272394D+01 -0.104450D+01 -0.608064D+01
      3   0.867475D-01  0.317410D+01  0.863482D+01  0.139266D+01  0.129049D+02
      4   0.762060D+00  0.198190D+00 -0.256977D+01  0.624320D+00 -0.310484D+01
      5   0.187049D+01 -0.169000D+01  0.888028D+01 -0.258954D+00  0.541323D+01
      6  -0.181811D+01  0.246676D+01 -0.222669D+01  0.236210D+01 -0.198807D+01
               181           182           183           184           185 
      1  -0.550009D+00  0.158584D+01 -0.328889D+00 -0.498440D+00 -0.204649D+02
      2   0.173237D+01  0.156720D+01  0.159900D+01  0.518013D+01  0.376852D+02
      3  -0.118236D+01 -0.315304D+01 -0.127011D+01 -0.468169D+01 -0.172203D+02
      4   0.451748D+01  0.796943D+01 -0.229507D+01  0.102495D+02  0.208025D+02
      5  -0.254866D+01 -0.333540D+01  0.500476D+01 -0.416627D+01 -0.561379D+01
      6  -0.333447D+01 -0.307586D+01  0.124739D+01 -0.588318D+01 -0.296087D+02
               186           187           188           189           190 
      1   0.761373D+01  0.602220D+00  0.231356D+01 -0.227503D+01  0.868690D+01
      2  -0.511307D+01  0.170187D+01  0.134739D+01  0.177718D+01 -0.170845D+02
      3  -0.250066D+01 -0.230409D+01 -0.366094D+01  0.497851D+00  0.839757D+01
      4  -0.496594D+01 -0.906273D-01  0.253493D+00  0.248527D+01  0.242966D+01
      5   0.387048D+01  0.335883D+01  0.166973D+01 -0.182571D+01 -0.230503D+02
      6   0.133064D+02  0.135046D+01  0.691421D+01 -0.323952D+01 -0.239681D-01
               191           192           193           194           195 
      1  -0.227114D+01 -0.144240D+01 -0.325781D+01 -0.681089D+00 -0.171439D+01
      2   0.371427D+01  0.159651D+02  0.650103D+01 -0.109550D+01 -0.817417D+01
      3  -0.144313D+01 -0.145227D+02 -0.324322D+01  0.177659D+01  0.988856D+01
      4   0.365511D+01 -0.315714D+01  0.301340D+01 -0.746097D+00 -0.305171D+01
      5   0.293020D+01  0.239180D+02  0.781652D+01 -0.591653D+01 -0.894824D+01
      6  -0.531393D+01  0.183431D+01 -0.465496D+01  0.204310D+01  0.516890D+01
               196           197           198           199           200 
      1  -0.106687D+01 -0.627119D+00 -0.639080D+01  0.908170D+01 -0.452712D+01
      2   0.137900D+02 -0.367554D+01 -0.225233D+02 -0.824688D+01  0.327003D+01
      3  -0.127232D+02  0.430266D+01  0.289141D+02 -0.834827D+00  0.125709D+01
      4  -0.231125D+01 -0.263087D+01  0.159694D+01 -0.363428D+01  0.267548D+01
      5   0.202062D+02 -0.331092D+01 -0.264443D+02  0.962568D+01 -0.305589D+01
      6   0.655045D+00  0.508556D+01 -0.699179D+00 -0.294542D+00  0.542458D+00
               201           202           203           204           205 
      1   0.674170D+01 -0.943195D+01  0.935646D+00 -0.179376D+01  0.121659D+02
      2  -0.676546D+01  0.637579D+01 -0.415696D+00  0.370136D+01 -0.106634D+02
      3   0.237591D-01  0.305616D+01 -0.519950D+00 -0.190760D+01 -0.150248D+01
      4  -0.163106D+01  0.441175D+01 -0.241837D+01  0.648149D+01  0.143710D+00
      5   0.141931D+02 -0.468963D+01  0.636190D+01 -0.953063D+01  0.203106D+02
      6   0.632481D+00  0.923002D+00 -0.140207D+01  0.266117D+01  0.216823D+01
               206           207           208           209           210 
      1  -0.234722D+00  0.630541D+01  0.526167D+02 -0.892314D+01 -0.180956D+02
      2   0.323499D+01 -0.169297D+02 -0.286327D+02  0.550071D+01  0.102953D+02
      3  -0.300027D+01  0.106243D+02 -0.239840D+02  0.342243D+01  0.780027D+01
      4   0.764765D+01 -0.523393D+01 -0.309326D+01  0.812699D+01  0.107377D+01
      5  -0.720784D+01  0.333852D+02 -0.195364D+02  0.291587D+01  0.148841D+02
      6   0.303378D+01  0.313400D+01 -0.205360D+01 -0.147729D+00  0.163631D+01
               211           212           213           214           215 
      1  -0.178643D+02  0.709047D+01  0.427097D+01 -0.307990D+02  0.342384D+01
      2   0.105472D+02 -0.192272D+01 -0.248608D+01  0.178367D+02 -0.223916D+01
      3   0.731710D+01 -0.516775D+01 -0.178489D+01  0.129623D+02 -0.118468D+01
      4   0.105757D+02 -0.261190D+01 -0.428995D+01 -0.504183D+00 -0.634983D+01
      5   0.540342D+01 -0.408667D+01 -0.690423D+01  0.206659D+02 -0.499039D+01
      6  -0.686737D+00  0.131173D+01  0.118052D+01  0.174247D+01  0.119043D+01
               216           217           218           219           220 
      1   0.143475D+02  0.585353D+01  0.609373D+01 -0.140334D+01  0.934721D+01
      2  -0.118124D+02  0.555184D+00 -0.551156D+00  0.104447D+01  0.403772D+01
      3  -0.253513D+01 -0.640871D+01 -0.554257D+01  0.358863D+00 -0.133849D+02
      4  -0.308722D+01  0.890958D+01  0.121428D+02  0.117035D+01  0.254920D+02
      5  -0.169292D+02 -0.778032D+00  0.180806D+01  0.307608D+01  0.387507D+01
      6  -0.151551D+01  0.886495D+00  0.974358D+00  0.358600D+00  0.319528D+01
               221           222           223           224           225 
      1  -0.507652D+01  0.289689D+00 -0.304949D+01 -0.249437D+00  0.915134D+00
      2   0.263875D+02  0.831303D+00  0.149351D+01  0.836151D+00  0.500057D+00
      3  -0.213110D+02 -0.112099D+01  0.155598D+01 -0.586714D+00 -0.141519D+01
      4   0.477288D+02  0.417468D+01  0.132900D+01  0.301537D+01  0.481303D+01
      5   0.438705D+01  0.611900D+01  0.614440D+01  0.468569D+01  0.286627D+01
      6   0.765103D+01  0.654329D+01  0.267893D+01  0.622203D+01  0.155294D+01
               226           227           228           229           230 
      1   0.166989D+02  0.115198D+02 -0.544721D+01  0.717714D+01  0.268022D+01
      2  -0.615353D+01 -0.311785D+01  0.144791D+01  0.328654D+00  0.610546D+01
      3  -0.105453D+02 -0.840193D+01  0.399930D+01 -0.750580D+01 -0.878568D+01
      4   0.194924D+02  0.209841D+02 -0.666809D+01  0.149116D+02  0.254360D+02
      5  -0.681345D+01 -0.336525D+01  0.765541D+01 -0.314478D+01 -0.680371D+01
      6  -0.500117D+01 -0.456824D+01  0.389433D+01 -0.435761D+01 -0.615446D+01
               231           232           233           234 
      1  -0.259065D+01 -0.943891D+01 -0.359901D+01  0.562005D+01
      2  -0.159946D+01  0.354878D+01 -0.178524D+01 -0.360977D+01
      3   0.419010D+01  0.589013D+01  0.538424D+01 -0.201029D+01
      4  -0.840392D+01 -0.108067D+02 -0.191837D+02  0.105568D+02
      5   0.293308D+01  0.101230D+02  0.723391D+01 -0.974942D+01
      6   0.615456D+01  0.556387D+01  0.792662D+01 -0.679608D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jul 22 19:06:54 2021, MaxMem= 17179869184 cpu:           14262.0 elap:            1192.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.44540 -10.44311 -10.43774 -10.43722 -10.43486
 Alpha  occ. eigenvalues --  -10.43240 -10.43065 -10.42331 -10.41847 -10.41737
 Alpha  occ. eigenvalues --   -1.02242  -0.92050  -0.88463  -0.86655  -0.81003
 Alpha  occ. eigenvalues --   -0.78460  -0.74315  -0.71508  -0.66474  -0.61322
 Alpha  occ. eigenvalues --   -0.59448  -0.59165  -0.56100  -0.54563  -0.54141
 Alpha  occ. eigenvalues --   -0.51777  -0.50438  -0.49982  -0.48763  -0.47996
 Alpha  occ. eigenvalues --   -0.47470  -0.45595  -0.44184  -0.41997  -0.40022
 Alpha  occ. eigenvalues --   -0.39205  -0.37772  -0.33475
 Alpha virt. eigenvalues --    0.04635   0.06530   0.06543   0.06883   0.08706
 Alpha virt. eigenvalues --    0.09071   0.09599   0.09998   0.12414   0.12729
 Alpha virt. eigenvalues --    0.13234   0.14775   0.15121   0.15848   0.16863
 Alpha virt. eigenvalues --    0.17363   0.18144   0.19334   0.19892   0.20632
 Alpha virt. eigenvalues --    0.21027   0.21930   0.22780   0.23118   0.23697
 Alpha virt. eigenvalues --    0.24936   0.25877   0.26058   0.26796   0.27120
 Alpha virt. eigenvalues --    0.28751   0.28973   0.29553   0.30185   0.30410
 Alpha virt. eigenvalues --    0.31134   0.31820   0.32096   0.32643   0.33386
 Alpha virt. eigenvalues --    0.33529   0.34368   0.34908   0.35674   0.36028
 Alpha virt. eigenvalues --    0.36510   0.37193   0.37467   0.37761   0.37909
 Alpha virt. eigenvalues --    0.38478   0.39145   0.39496   0.39859   0.40515
 Alpha virt. eigenvalues --    0.40771   0.41385   0.41396   0.42115   0.42443
 Alpha virt. eigenvalues --    0.42759   0.43276   0.43376   0.44075   0.44400
 Alpha virt. eigenvalues --    0.44478   0.45041   0.45531   0.46292   0.46509
 Alpha virt. eigenvalues --    0.46676   0.47597   0.47987   0.48721   0.49265
 Alpha virt. eigenvalues --    0.49803   0.50123   0.50814   0.51106   0.51342
 Alpha virt. eigenvalues --    0.51821   0.52336   0.53266   0.53464   0.53910
 Alpha virt. eigenvalues --    0.54702   0.54928   0.55341   0.56568   0.56854
 Alpha virt. eigenvalues --    0.57300   0.57650   0.58364   0.58576   0.59290
 Alpha virt. eigenvalues --    0.59846   0.60850   0.61035   0.61225   0.62367
 Alpha virt. eigenvalues --    0.63132   0.63576   0.63808   0.64144   0.64677
 Alpha virt. eigenvalues --    0.65308   0.66114   0.66605   0.67552   0.68014
 Alpha virt. eigenvalues --    0.68997   0.69726   0.70313   0.71079   0.71264
 Alpha virt. eigenvalues --    0.72509   0.72681   0.73608   0.74108   0.75194
 Alpha virt. eigenvalues --    0.75581   0.76693   0.78503   0.78811   0.80713
 Alpha virt. eigenvalues --    0.80999   0.82015   0.83957   0.84629   0.85420
 Alpha virt. eigenvalues --    0.86013   0.86720   0.88098   0.89333   0.90860
 Alpha virt. eigenvalues --    0.92779   0.98458   1.01214   1.01917   1.02546
 Alpha virt. eigenvalues --    1.03676   1.04568   1.05594   1.07380   1.07541
 Alpha virt. eigenvalues --    1.07843   1.08271   1.08822   1.10580   1.10826
 Alpha virt. eigenvalues --    1.11815   1.12251   1.13242   1.13440   1.14399
 Alpha virt. eigenvalues --    1.16282   1.16554   1.18196   1.19948   1.20246
 Alpha virt. eigenvalues --    1.21662   1.22933   1.24627   1.25426   1.27043
 Alpha virt. eigenvalues --    1.27732   1.30189   1.31139   1.32582   1.35305
 Alpha virt. eigenvalues --    1.35896   1.38893   1.39631   1.41376   1.42123
 Alpha virt. eigenvalues --    1.43735   1.46632   1.48505   1.49678   1.50930
 Alpha virt. eigenvalues --    1.53122   1.54521   1.55855   1.57474   1.58393
 Alpha virt. eigenvalues --    1.59793   1.60306   1.64168   1.66504   1.69503
 Alpha virt. eigenvalues --    1.70951   1.73587   1.74725   1.77390   1.78103
 Alpha virt. eigenvalues --    1.80684   1.83134   1.83536   1.85644   1.86260
 Alpha virt. eigenvalues --    1.87989   1.90187   1.92594   1.93511   1.94688
 Alpha virt. eigenvalues --    1.95714   1.97271   1.98587   1.98920   2.00732
 Alpha virt. eigenvalues --    2.01729   2.03798   2.04093   2.05601   2.07153
 Alpha virt. eigenvalues --    2.07788   2.09785   2.10865   2.11098   2.13903
 Alpha virt. eigenvalues --    2.14634   2.15359   2.16560   2.17223   2.19305
 Alpha virt. eigenvalues --    2.20907   2.21371   2.22698   2.24527   2.25002
 Alpha virt. eigenvalues --    2.26221   2.28260   2.29202   2.29625   2.30395
 Alpha virt. eigenvalues --    2.34057   2.35460   2.37025   2.38306   2.38623
 Alpha virt. eigenvalues --    2.39940   2.41329   2.43062   2.44983   2.45618
 Alpha virt. eigenvalues --    2.45870   2.46957   2.49253   2.51321   2.52293
 Alpha virt. eigenvalues --    2.54014   2.58203   2.59218   2.61397   2.62085
 Alpha virt. eigenvalues --    2.64224   2.65568   2.67482   2.69717   2.71392
 Alpha virt. eigenvalues --    2.72558   2.74511   2.75837   2.77458   2.78370
 Alpha virt. eigenvalues --    2.80631   2.82417   2.85603   2.87216   2.92408
 Alpha virt. eigenvalues --    2.96449   3.03438   3.06296   3.07338   3.08194
 Alpha virt. eigenvalues --    3.09517   3.12632   3.16134   3.18355   3.20163
 Alpha virt. eigenvalues --    3.23702   3.25103   3.26029   3.27709   3.28136
 Alpha virt. eigenvalues --    3.31364   3.33378   3.38613   3.42562   3.48603
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.746568   0.185531  -0.108297  -0.884639   0.066232  -0.111113
     2  C    0.185531   4.856593   0.201791   0.067074  -0.122474   0.080043
     3  C   -0.108297   0.201791   7.885067  -0.798220  -0.100974  -0.148906
     4  C   -0.884639   0.067074  -0.798220   9.825723  -0.986129   0.030735
     5  C    0.066232  -0.122474  -0.100974  -0.986129   7.877278  -1.366126
     6  C   -0.111113   0.080043  -0.148906   0.030735  -1.366126  14.550907
     7  C    0.257936   0.103585  -0.139804  -0.010944   1.000939  -1.681080
     8  C   -0.238201  -0.098423  -0.099866   0.154813  -0.715684   0.379326
     9  H   -0.105957  -0.046070   0.223164  -0.268499   0.112074  -0.008569
    10  H   -0.085347   0.212510   0.019198   0.007945   0.004657   0.087501
    11  H    0.007233   0.329766  -0.041391   0.011259  -0.065797   0.059985
    12  H    0.050898  -0.008096   0.238924  -0.271620   0.087299  -0.009104
    13  H    0.027346  -0.000954   0.058818   0.227193  -0.073301   0.034820
    14  H    0.101079  -0.005336  -0.307723  -0.388250  -0.043931  -0.818765
    15  C   -0.039654  -0.166651  -0.132093   0.026437   0.032101  -2.020005
    16  C    0.003801   0.053379  -0.006885   0.000832  -0.125003  -0.139168
    17  H    0.005647  -0.340621   0.051959  -0.003949   0.014980  -0.585455
    18  H    0.016701   0.098941   0.044502  -0.000598   0.176085  -0.285450
    19  H   -0.076148  -0.167354  -0.137202   0.020311  -0.117655   0.322550
    20  H    0.022370  -0.009477  -0.001484  -0.038624  -0.097404  -0.007127
    21  H   -0.006601   0.011123   0.006524   0.009716   0.019188   0.197587
    22  H   -0.002629  -0.008269  -0.005635   0.000954   0.026006   0.170655
    23  H    0.000449   0.001352  -0.006904   0.000299  -0.087632   0.437769
    24  H    0.000631   0.001287   0.001543  -0.000533   0.016615   0.193069
    25  H    0.000277  -0.003843   0.004428  -0.001511   0.034167   0.112887
    26  H    0.377785   0.001717  -0.070673  -0.036581   0.002470  -0.071118
               7          8          9         10         11         12
     1  C    0.257936  -0.238201  -0.105957  -0.085347   0.007233   0.050898
     2  C    0.103585  -0.098423  -0.046070   0.212510   0.329766  -0.008096
     3  C   -0.139804  -0.099866   0.223164   0.019198  -0.041391   0.238924
     4  C   -0.010944   0.154813  -0.268499   0.007945   0.011259  -0.271620
     5  C    1.000939  -0.715684   0.112074   0.004657  -0.065797   0.087299
     6  C   -1.681080   0.379326  -0.008569   0.087501   0.059985  -0.009104
     7  C    7.191667  -0.536450   0.014143   0.047917  -0.188816   0.003675
     8  C   -0.536450   5.856216  -0.009836   0.007734   0.050347  -0.010888
     9  H    0.014143  -0.009836   1.469458   0.089654  -0.166040   0.020441
    10  H    0.047917   0.007734   0.089654   1.218803  -0.248404  -0.000752
    11  H   -0.188816   0.050347  -0.166040  -0.248404   1.150483  -0.000925
    12  H    0.003675  -0.010888   0.020441  -0.000752  -0.000925   0.900243
    13  H    0.000832   0.000372   0.000116  -0.000177   0.000051  -0.101726
    14  H    0.129583  -0.191202  -0.000269  -0.003252  -0.001067   0.029982
    15  C    0.122328   0.162765  -0.018281   0.002133  -0.030619   0.004617
    16  C   -0.236608  -0.054469   0.001740   0.002629   0.005096   0.000313
    17  H    0.062077   0.064845   0.000780  -0.052699  -0.032205  -0.000011
    18  H    0.095727  -0.132661  -0.001356  -0.003628   0.000210  -0.000184
    19  H   -0.090745   0.124097   0.001188   0.008722   0.005322  -0.000275
    20  H   -0.052906   0.031175  -0.013282  -0.004523  -0.013170  -0.000164
    21  H    0.010795  -0.009254  -0.004310  -0.000147   0.004262   0.000489
    22  H    0.055514  -0.014581   0.001010  -0.001309  -0.011134   0.000461
    23  H   -0.123075  -0.019389   0.000028  -0.000006   0.001256   0.000007
    24  H    0.023897  -0.001879   0.000030  -0.000338  -0.002120   0.000013
    25  H    0.048569  -0.003597   0.000055  -0.000182  -0.000870   0.000016
    26  H    0.001083  -0.042070  -0.292137  -0.170140   0.037117   0.011039
              13         14         15         16         17         18
     1  C    0.027346   0.101079  -0.039654   0.003801   0.005647   0.016701
     2  C   -0.000954  -0.005336  -0.166651   0.053379  -0.340621   0.098941
     3  C    0.058818  -0.307723  -0.132093  -0.006885   0.051959   0.044502
     4  C    0.227193  -0.388250   0.026437   0.000832  -0.003949  -0.000598
     5  C   -0.073301  -0.043931   0.032101  -0.125003   0.014980   0.176085
     6  C    0.034820  -0.818765  -2.020005  -0.139168  -0.585455  -0.285450
     7  C    0.000832   0.129583   0.122328  -0.236608   0.062077   0.095727
     8  C    0.000372  -0.191202   0.162765  -0.054469   0.064845  -0.132661
     9  H    0.000116  -0.000269  -0.018281   0.001740   0.000780  -0.001356
    10  H   -0.000177  -0.003252   0.002133   0.002629  -0.052699  -0.003628
    11  H    0.000051  -0.001067  -0.030619   0.005096  -0.032205   0.000210
    12  H   -0.101726   0.029982   0.004617   0.000313  -0.000011  -0.000184
    13  H    0.758667  -0.077938  -0.009260  -0.000683  -0.000195   0.000372
    14  H   -0.077938   3.002528   0.218375  -0.177913   0.044998  -0.094624
    15  C   -0.009260   0.218375   6.560836  -0.511566   0.216786  -0.002090
    16  C   -0.000683  -0.177913  -0.511566   5.683039  -0.118939   0.003562
    17  H   -0.000195   0.044998   0.216786  -0.118939   2.425448  -0.143607
    18  H    0.000372  -0.094624  -0.002090   0.003562  -0.143607   2.910524
    19  H   -0.001601   0.075829  -0.002520   0.001523   0.096558  -1.376880
    20  H   -0.001956   0.015045   0.359820   0.013034   0.017770  -0.001911
    21  H   -0.003983   0.021616  -0.087727   0.006315  -0.002011  -0.000093
    22  H   -0.000055  -0.000136  -0.048087   0.010554   0.019134  -0.001338
    23  H   -0.000011  -0.048136  -0.034472   0.359495  -0.037324  -0.067918
    24  H    0.000005   0.008792   0.025620  -0.124620   0.010735   0.002429
    25  H   -0.000199   0.030240   0.039728  -0.155063   0.010342   0.004054
    26  H   -0.000252  -0.000983  -0.001430   0.000311  -0.006911   0.012313
              19         20         21         22         23         24
     1  C   -0.076148   0.022370  -0.006601  -0.002629   0.000449   0.000631
     2  C   -0.167354  -0.009477   0.011123  -0.008269   0.001352   0.001287
     3  C   -0.137202  -0.001484   0.006524  -0.005635  -0.006904   0.001543
     4  C    0.020311  -0.038624   0.009716   0.000954   0.000299  -0.000533
     5  C   -0.117655  -0.097404   0.019188   0.026006  -0.087632   0.016615
     6  C    0.322550  -0.007127   0.197587   0.170655   0.437769   0.193069
     7  C   -0.090745  -0.052906   0.010795   0.055514  -0.123075   0.023897
     8  C    0.124097   0.031175  -0.009254  -0.014581  -0.019389  -0.001879
     9  H    0.001188  -0.013282  -0.004310   0.001010   0.000028   0.000030
    10  H    0.008722  -0.004523  -0.000147  -0.001309  -0.000006  -0.000338
    11  H    0.005322  -0.013170   0.004262  -0.011134   0.001256  -0.002120
    12  H   -0.000275  -0.000164   0.000489   0.000461   0.000007   0.000013
    13  H   -0.001601  -0.001956  -0.003983  -0.000055  -0.000011   0.000005
    14  H    0.075829   0.015045   0.021616  -0.000136  -0.048136   0.008792
    15  C   -0.002520   0.359820  -0.087727  -0.048087  -0.034472   0.025620
    16  C    0.001523   0.013034   0.006315   0.010554   0.359495  -0.124620
    17  H    0.096558   0.017770  -0.002011   0.019134  -0.037324   0.010735
    18  H   -1.376880  -0.001911  -0.000093  -0.001338  -0.067918   0.002429
    19  H    2.885255   0.004292  -0.001088  -0.000554   0.014826   0.001896
    20  H    0.004292   1.283470  -0.132799  -0.202510  -0.006100   0.009116
    21  H   -0.001088  -0.132799   0.899549  -0.051467  -0.001274  -0.009382
    22  H   -0.000554  -0.202510  -0.051467   0.913902   0.001574  -0.008404
    23  H    0.014826  -0.006100  -0.001274   0.001574   1.040080  -0.123439
    24  H    0.001896   0.009116  -0.009382  -0.008404  -0.123439   0.827845
    25  H    0.001542   0.011910  -0.004756  -0.008029  -0.154880  -0.032312
    26  H   -0.071451  -0.000488   0.001000   0.001848   0.000347  -0.000096
              25         26
     1  C    0.000277   0.377785
     2  C   -0.003843   0.001717
     3  C    0.004428  -0.070673
     4  C   -0.001511  -0.036581
     5  C    0.034167   0.002470
     6  C    0.112887  -0.071118
     7  C    0.048569   0.001083
     8  C   -0.003597  -0.042070
     9  H    0.000055  -0.292137
    10  H   -0.000182  -0.170140
    11  H   -0.000870   0.037117
    12  H    0.000016   0.011039
    13  H   -0.000199  -0.000252
    14  H    0.030240  -0.000983
    15  C    0.039728  -0.001430
    16  C   -0.155063   0.000311
    17  H    0.010342  -0.006911
    18  H    0.004054   0.012313
    19  H    0.001542  -0.071451
    20  H    0.011910  -0.000488
    21  H   -0.004756   0.001000
    22  H   -0.008029   0.001848
    23  H   -0.154880   0.000347
    24  H   -0.032312  -0.000096
    25  H    0.893298  -0.000102
    26  H   -0.000102   1.179529
 Mulliken charges:
               1
     1  C    0.788105
     2  C    0.772876
     3  C   -0.629863
     4  C   -0.693193
     5  C    0.432017
     6  C   -3.405848
     7  C   -0.109838
     8  C    1.346759
     9  H    0.000724
    10  H   -0.138500
    11  H    0.140169
    12  H    0.055328
    13  H    0.163701
    14  H   -0.518539
    15  C    1.332911
    16  C    1.505291
    17  H   -0.718133
    18  H   -0.253082
    19  H   -0.520438
    20  H   -0.184078
    21  H    0.126726
    22  H    0.162523
    23  H   -0.146919
    24  H    0.179599
    25  H    0.173830
    26  H    0.137874
 Sum of Mulliken charges =   0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.926703
     2  C    0.774545
     3  C   -0.629863
     4  C   -0.474165
     5  C   -0.086522
     6  C   -3.405848
     7  C   -0.827971
     8  C    0.573239
    15  C    1.438082
    16  C    1.711801
 Electronic spatial extent (au):  <R**2>=           1337.0077
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.4006    Y=              0.5379    Z=              0.1131  Tot=              0.6802
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -63.7445   YY=            -63.2183   ZZ=            -64.3358
   XY=              0.9184   XZ=              1.2342   YZ=              0.5333
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.0217   YY=              0.5479   ZZ=             -0.5696
   XY=              0.9184   XZ=              1.2342   YZ=              0.5333
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              0.7116  YYY=             -0.7012  ZZZ=              0.8223  XYY=              0.5983
  XXY=              2.3541  XXZ=              4.4205  XZZ=             -2.9370  YZZ=              1.9225
  YYZ=             -2.9091  XYZ=             -0.8282
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -918.2668 YYYY=           -536.7919 ZZZZ=           -415.3923 XXXY=             -5.2714
 XXXZ=             12.1100 YYYX=              3.5233 YYYZ=              6.4237 ZZZX=              7.4384
 ZZZY=              1.7959 XXYY=           -241.6905 XXZZ=           -221.6026 YYZZ=           -163.3544
 XXYZ=             -3.8344 YYXZ=             -4.2816 ZZXY=              1.9274
 N-N= 5.710056832907D+02 E-N=-2.042351311378D+03  KE= 3.850250192931D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jul 22 19:06:56 2021, MaxMem= 17179869184 cpu:              13.9 elap:               1.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.68839324D-01 2.26576814D-01 4.73897661D-02
 Polarizability= 1.22600674D+02-6.80291573D+00 1.14486480D+02
                 7.23190235D-01 1.13236103D+00 9.98872265D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0722   -0.0571       -3.7669   -3.7682
 2      0.0722    0.0571       -0.5382   -0.5372       -3.9895   -4.0026
 3      3.7669    3.7682       11.6085   11.6145        0.5376    0.5372
 4      0.5382    0.5372        0.0000    0.0000        3.7665    3.7682
 5     -7.6190   -7.6119       -3.7665   -3.7682       -0.0684   -0.0571
 6     -0.5376   -0.5372        0.0684    0.0571       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.1714    0.1714      -11.3045  -11.3045
 2      1.6117    1.6117        0.0000    0.0000      -11.3045  -11.3045
 3      1.6117    1.6117        0.1714    0.1714       -0.0000    0.0000
 4      0.1714    0.1714       -1.6117   -1.6117      -12.0078  -12.0078
 5     11.3045   11.3045       34.8435   34.8435        1.6117    1.6117
 6    -22.8357  -22.8357      -11.3045  -11.3045       -0.1714   -0.1714
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1591    0.0000        0.3566    0.2285       14.8322   15.0726
 2     -0.2693   -0.2285        1.7503    2.1490       16.1988   16.0103
 3    -15.0901  -15.0726      -46.6591  -46.4580       -1.5940   -2.1490
 4     -1.7394   -2.1490       -0.1584    0.0000      -15.2718  -15.0726
 5     30.3358   30.4477       15.1569   15.0726        0.5473    0.2285
 6      2.2414    2.1490       -0.2536   -0.2285       -0.1085    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0575    0.0000       12.7479   12.8910       -3.9488   -4.0590
 2    -12.5972  -12.8910      -17.0096  -16.4111        4.2164    3.5265
 3      4.6151    4.0590      -20.0823  -19.8920       15.7696   16.4111
 4     15.6698   16.4111        0.2107    0.0000        3.7618    4.0590
 5     15.9709   16.3655       -4.0434   -4.0590       12.5703   12.8910
 6    -15.8438  -16.4111      -12.7615  -12.8910        0.1513    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     52.0793   51.9476       72.4531   72.4429       10.9252   11.3428
 2     78.1914   78.7426       69.0485   69.1240       10.8835   11.3428
 3     78.2019   78.7426       72.5817   72.4429       14.1249   14.6671
 4      3.1619    3.3189      -27.2210  -26.7950        6.1293    5.1958
 5      3.3936    3.3244      -29.9454  -29.5005       26.4981   26.7950
 6     23.3168   24.3047       -2.8522   -3.3244       -4.0486   -3.3189
 Full mass-weighted force constant matrix:
 Low frequencies ---   -9.2943   -3.9471   -0.0006   -0.0005   -0.0004    4.7830
 Low frequencies ---  106.9149  166.5864  191.0365
 Diagonal vibrational polarizability:
        1.9906344       1.4717352       2.5217771
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   20491.80
                      1                      2                      3
                      A                      A                      A
 Frequencies --    106.9137               166.5857               191.0343
 Red. masses --      2.6288                 1.8473                 1.3437
 Frc consts  --      0.0177                 0.0302                 0.0289
 IR Inten    --      0.0287                 0.1411                 0.0704
 RamAct Fr= 1--      3.3410                 1.1181                 0.6466
  Dep-P Fr= 1--      0.7327                 0.6373                 0.7252
  Dep-U Fr= 1--      0.8458                 0.7785                 0.8407
 Alpha2 Fr= 1--      0.0010                 0.0023                 0.0003
 Beta2  Fr= 1--      0.4710                 0.1451                 0.0906
 AlphaG Fr= 1--      0.0003                -0.0061                 0.0016
 Gamma2 Fr= 1--      0.7358                -0.2515                -0.1176
 Delta2 Fr= 1--     -0.2610                -0.0608                 0.0157
 Raman1 Fr= 1--      13.364                  4.472                  2.587
 ROA1   Fr= 1--      62.282                -26.089                -10.787
 CID1   Fr= 1--       4.660                 -5.833                 -4.171
 Raman2 Fr= 1--       5.651                  1.741                  1.087
 ROA2   Fr= 1--      19.746                 -5.549                 -2.949
 CID2   Fr= 1--       3.494                 -3.188                 -2.712
 Raman3 Fr= 1--      11.303                  3.482                  2.175
 ROA3   Fr= 1--      62.282                -26.089                -10.787
 CID3   Fr= 1--       5.510                 -7.493                 -4.961
 RC180  Fr= 1--       0.692                  0.557                  0.681
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.08  -0.17    -0.03  -0.06   0.12     0.01   0.02  -0.03
     2   6     0.03  -0.02   0.02    -0.02   0.06  -0.05     0.01   0.01  -0.01
     3   6    -0.01   0.03  -0.01    -0.03  -0.01  -0.00     0.01   0.00   0.02
     4   6    -0.12  -0.07   0.24    -0.10  -0.06   0.02     0.05   0.04  -0.01
     5   6     0.01   0.05  -0.05    -0.00   0.05  -0.05    -0.01  -0.03   0.03
     6   6     0.02  -0.02  -0.02     0.03   0.02  -0.01    -0.02  -0.01   0.01
     7   6     0.00  -0.00   0.05    -0.02   0.03  -0.03     0.01  -0.01   0.00
     8   6    -0.04   0.07   0.02    -0.01   0.05  -0.02     0.01  -0.04   0.00
     9   1     0.22   0.19  -0.29    -0.21  -0.17   0.23     0.04   0.06  -0.05
    10   1    -0.02   0.01   0.11     0.04   0.03  -0.20    -0.00   0.01  -0.01
    11   1     0.12  -0.14   0.02    -0.06   0.23  -0.04     0.02   0.01  -0.01
    12   1    -0.17  -0.09   0.33    -0.14  -0.15   0.10     0.07   0.09  -0.05
    13   1    -0.18  -0.12   0.36    -0.12  -0.02  -0.05     0.08   0.02   0.01
    14   1     0.01   0.07  -0.08    -0.01   0.06  -0.06     0.00  -0.05   0.05
    15   6     0.06  -0.10  -0.06     0.14   0.00  -0.04    -0.03  -0.08  -0.02
    16   6     0.02  -0.01  -0.01     0.03  -0.06   0.04    -0.04   0.09   0.01
    17   1    -0.00  -0.02   0.11    -0.03   0.01  -0.02     0.02  -0.00  -0.02
    18   1    -0.07   0.07   0.05    -0.00   0.05  -0.03     0.01  -0.04   0.01
    19   1    -0.08   0.11   0.00    -0.01   0.07  -0.00     0.01  -0.06  -0.01
    20   1     0.04  -0.07  -0.04     0.05   0.30   0.05    -0.15   0.19   0.15
    21   1     0.13  -0.11  -0.15     0.50  -0.04  -0.12     0.33  -0.13  -0.19
    22   1     0.02  -0.20  -0.04    -0.05  -0.29  -0.06    -0.27  -0.41  -0.08
    23   1    -0.01   0.04   0.02     0.02  -0.16   0.00     0.10  -0.15  -0.12
    24   1     0.03  -0.06   0.03     0.03  -0.00   0.01    -0.02   0.44  -0.14
    25   1     0.03  -0.01  -0.07     0.06  -0.07   0.15    -0.24   0.10   0.32
    26   1    -0.17   0.09  -0.32     0.16  -0.09   0.25    -0.03   0.01  -0.06
                      4                      5                      6
                      A                      A                      A
 Frequencies --    210.9931               231.2244               297.7815
 Red. masses --      1.8294                 1.2403                 1.8681
 Frc consts  --      0.0480                 0.0391                 0.0976
 IR Inten    --      0.0066                 0.0742                 0.0695
 RamAct Fr= 1--      0.2758                 0.2961                 0.4035
  Dep-P Fr= 1--      0.5688                 0.5351                 0.5414
  Dep-U Fr= 1--      0.7251                 0.6971                 0.7025
 Alpha2 Fr= 1--      0.0009                 0.0012                 0.0016
 Beta2  Fr= 1--      0.0333                 0.0344                 0.0472
 AlphaG Fr= 1--      0.0011                 0.0101                -0.0076
 Gamma2 Fr= 1--     -0.2827                 0.1172                 0.0021
 Delta2 Fr= 1--     -0.2128                -0.0968                 0.1893
 Raman1 Fr= 1--       1.103                  1.184                  1.614
 ROA1   Fr= 1--     -33.949                  8.155                  6.262
 CID1   Fr= 1--     -30.771                  6.886                  3.880
 Raman2 Fr= 1--       0.400                  0.413                  0.567
 ROA2   Fr= 1--      -5.082                  3.588                 -1.463
 CID2   Fr= 1--     -12.704                  8.692                 -2.580
 Raman3 Fr= 1--       0.800                  0.826                  1.134
 ROA3   Fr= 1--     -33.949                  8.155                  6.262
 CID3   Fr= 1--     -42.437                  9.877                  5.523
 RC180  Fr= 1--       0.450                  0.394                  0.405
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.00   0.05    -0.03  -0.00   0.03    -0.05  -0.01  -0.02
     2   6    -0.04   0.03  -0.03    -0.04  -0.03   0.03    -0.07  -0.12   0.13
     3   6    -0.01   0.00   0.02    -0.00   0.01  -0.02    -0.01  -0.03   0.00
     4   6     0.04   0.04   0.05    -0.00   0.00   0.03     0.02  -0.00  -0.01
     5   6    -0.00  -0.04  -0.02     0.01   0.00  -0.05    -0.00  -0.01  -0.02
     6   6     0.00  -0.01  -0.02     0.02  -0.02  -0.03    -0.01   0.04  -0.04
     7   6     0.01  -0.01  -0.05    -0.01  -0.02  -0.02     0.01   0.02  -0.06
     8   6     0.02  -0.05  -0.04     0.01   0.01  -0.02     0.07  -0.01  -0.04
     9   1    -0.10  -0.02   0.09    -0.04  -0.02   0.03     0.10   0.06  -0.13
    10   1    -0.03   0.02  -0.05    -0.04  -0.02   0.10    -0.05  -0.08   0.44
    11   1    -0.08   0.06  -0.03    -0.08  -0.09   0.02    -0.15  -0.40   0.08
    12   1     0.02   0.09   0.08    -0.03   0.01   0.09     0.02   0.03  -0.00
    13   1     0.10   0.02   0.05     0.02   0.00   0.02     0.06  -0.01  -0.02
    14   1     0.03  -0.06   0.00     0.03   0.02  -0.07    -0.02  -0.02  -0.02
    15   6     0.08  -0.10  -0.07     0.07   0.01  -0.02     0.06   0.13  -0.01
    16   6    -0.07   0.14   0.09    -0.02   0.02   0.04    -0.03  -0.01   0.05
    17   1    -0.01  -0.03  -0.09    -0.03  -0.04  -0.02     0.02   0.05  -0.12
    18   1     0.02  -0.06  -0.05     0.00   0.03  -0.02     0.08   0.01  -0.06
    19   1     0.03  -0.07  -0.05     0.00   0.03  -0.01     0.10  -0.05  -0.04
    20   1     0.14  -0.23  -0.16     0.18  -0.24  -0.20    -0.02   0.40   0.06
    21   1    -0.03  -0.08  -0.13    -0.24   0.05   0.08     0.37   0.09   0.00
    22   1     0.19  -0.09   0.04     0.29   0.26   0.06    -0.10  -0.05  -0.07
    23   1    -0.25   0.50   0.28     0.10  -0.31  -0.12    -0.13   0.06   0.10
    24   1     0.07  -0.10   0.37     0.02   0.43  -0.13     0.01  -0.11   0.15
    25   1    -0.11   0.16  -0.28    -0.21   0.02   0.45     0.03  -0.01  -0.02
    26   1     0.03  -0.01   0.09    -0.03   0.03   0.05    -0.23   0.06  -0.11
                      7                      8                      9
                      A                      A                      A
 Frequencies --    359.1272               385.1849               394.2225
 Red. masses --      2.2799                 2.4473                 2.3202
 Frc consts  --      0.1732                 0.2139                 0.2125
 IR Inten    --      1.0175                 0.1708                 0.8245
 RamAct Fr= 1--      2.3193                 1.6141                 0.8147
  Dep-P Fr= 1--      0.4802                 0.4800                 0.6908
  Dep-U Fr= 1--      0.6488                 0.6486                 0.8171
 Alpha2 Fr= 1--      0.0125                 0.0087                 0.0008
 Beta2  Fr= 1--      0.2508                 0.1745                 0.1110
 AlphaG Fr= 1--      0.0084                 0.0039                 0.0039
 Gamma2 Fr= 1--      1.1610                -0.2168                -0.4550
 Delta2 Fr= 1--      0.4193                -0.0026                -0.2378
 Raman1 Fr= 1--       9.277                  6.456                  3.259
 ROA1   Fr= 1--     124.871                -20.898                -51.291
 CID1   Fr= 1--      13.460                 -3.237                -15.739
 Raman2 Fr= 1--       3.010                  2.094                  1.331
 ROA2   Fr= 1--      24.510                 -5.183                 -9.017
 CID2   Fr= 1--       8.144                 -2.475                 -6.773
 Raman3 Fr= 1--       6.019                  4.188                  2.663
 ROA3   Fr= 1--     124.871                -20.898                -51.291
 CID3   Fr= 1--      20.745                 -4.990                -19.261
 RC180  Fr= 1--       0.298                  0.297                  0.634
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.09   0.00     0.08   0.04   0.04     0.03   0.09   0.04
     2   6     0.04  -0.06  -0.03     0.06   0.01   0.01    -0.07  -0.02   0.01
     3   6     0.04  -0.03  -0.10     0.03   0.06   0.02     0.10   0.09  -0.03
     4   6     0.13   0.04   0.10    -0.03   0.01  -0.01    -0.11  -0.07  -0.05
     5   6     0.02   0.03  -0.13     0.03   0.05  -0.01     0.11   0.01  -0.04
     6   6     0.01  -0.04  -0.05    -0.03   0.04  -0.04     0.09  -0.09  -0.01
     7   6    -0.01  -0.05   0.04     0.06   0.06  -0.07    -0.01  -0.10  -0.01
     8   6    -0.09   0.08   0.01     0.05   0.01  -0.06    -0.04  -0.04  -0.04
     9   1    -0.08  -0.21   0.06     0.05   0.01   0.06    -0.01   0.08   0.08
    10   1     0.04  -0.08  -0.13     0.06   0.02   0.11    -0.16   0.01   0.05
    11   1     0.09   0.04  -0.02    -0.01  -0.09  -0.01    -0.10  -0.07  -0.00
    12   1     0.03   0.23   0.29    -0.02  -0.08  -0.05    -0.10  -0.37  -0.05
    13   1     0.37  -0.05   0.13    -0.13   0.04  -0.02    -0.37   0.04  -0.11
    14   1     0.01   0.09  -0.20     0.09   0.03   0.00     0.21  -0.01  -0.04
    15   6    -0.08   0.07   0.01    -0.15  -0.06  -0.07    -0.06   0.02   0.07
    16   6    -0.05   0.01   0.05    -0.07  -0.14   0.17     0.04   0.09   0.03
    17   1    -0.01  -0.07   0.16     0.11   0.12  -0.11    -0.08  -0.19   0.03
    18   1    -0.14   0.06   0.07     0.01  -0.03  -0.02    -0.06  -0.12  -0.00
    19   1    -0.17   0.18  -0.01     0.04  -0.02  -0.13    -0.11   0.03  -0.06
    20   1    -0.16   0.23   0.15    -0.17  -0.21   0.05    -0.14   0.13   0.24
    21   1     0.02   0.06   0.14    -0.27  -0.04  -0.21    -0.00   0.01   0.18
    22   1    -0.23   0.10  -0.15    -0.18  -0.07  -0.10    -0.22   0.08  -0.12
    23   1    -0.16   0.06   0.10    -0.32  -0.30   0.16     0.02   0.22   0.09
    24   1     0.05   0.01   0.16     0.02  -0.17   0.28     0.17   0.16   0.13
    25   1    -0.10   0.01   0.03     0.08  -0.16   0.35    -0.15   0.11  -0.06
    26   1     0.15  -0.07   0.12     0.12   0.05   0.07     0.04   0.17   0.11
                     10                     11                     12
                      A                      A                      A
 Frequencies --    420.0343               456.1624               480.2945
 Red. masses --      2.1714                 2.9831                 3.2389
 Frc consts  --      0.2257                 0.3657                 0.4402
 IR Inten    --      0.7982                 0.6548                 0.2993
 RamAct Fr= 1--      0.9759                 1.5615                 6.6885
  Dep-P Fr= 1--      0.4330                 0.4955                 0.3797
  Dep-U Fr= 1--      0.6043                 0.6626                 0.5504
 Alpha2 Fr= 1--      0.0064                 0.0079                 0.0532
 Beta2  Fr= 1--      0.0983                 0.1725                 0.6135
 AlphaG Fr= 1--     -0.0165                -0.0072                -0.0263
 Gamma2 Fr= 1--     -0.2683                -0.7135                 0.7960
 Delta2 Fr= 1--      0.0242                -0.3268                 0.5456
 Raman1 Fr= 1--       3.903                  6.246                 26.754
 ROA1   Fr= 1--     -24.984                -78.952                 93.872
 CID1   Fr= 1--      -6.401                -12.640                  3.509
 Raman2 Fr= 1--       1.179                  2.069                  7.362
 ROA2   Fr= 1--      -6.634                -14.509                 14.738
 CID2   Fr= 1--      -5.624                 -7.011                  2.002
 Raman3 Fr= 1--       2.359                  4.139                 14.724
 ROA3   Fr= 1--     -24.984                -78.952                 93.872
 CID3   Fr= 1--     -10.591                -19.076                  6.375
 RC180  Fr= 1--       0.209                  0.325                  0.101
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.02  -0.07    -0.15  -0.04  -0.05     0.04   0.04   0.01
     2   6    -0.06   0.05  -0.06    -0.06   0.04   0.01     0.10   0.02   0.05
     3   6     0.01  -0.06   0.04    -0.08  -0.04  -0.11    -0.12   0.14  -0.11
     4   6     0.02  -0.06  -0.03    -0.01   0.03   0.01    -0.14   0.16   0.02
     5   6     0.04   0.01  -0.02    -0.04  -0.02  -0.07    -0.11  -0.08  -0.07
     6   6    -0.02  -0.06  -0.03     0.14   0.04   0.08    -0.03  -0.11  -0.01
     7   6    -0.07  -0.05   0.03     0.03   0.05  -0.04     0.12  -0.10   0.04
     8   6     0.18   0.10   0.09     0.07   0.02  -0.05     0.13  -0.06  -0.00
     9   1     0.03   0.17  -0.10    -0.14  -0.10  -0.07    -0.07  -0.25   0.04
    10   1    -0.10   0.03  -0.29     0.03   0.04   0.09    -0.01   0.03  -0.02
    11   1     0.06   0.24  -0.02    -0.11  -0.03  -0.01     0.14   0.06   0.06
    12   1     0.05  -0.09  -0.09    -0.09   0.15   0.17    -0.14   0.27   0.02
    13   1    -0.02  -0.03  -0.07     0.18  -0.02  -0.01    -0.12   0.08   0.16
    14   1     0.05   0.10  -0.14    -0.18  -0.02  -0.03    -0.02  -0.10  -0.06
    15   6    -0.02   0.00   0.00    -0.09  -0.09   0.10     0.02   0.01   0.05
    16   6    -0.07  -0.03   0.06     0.21   0.03   0.08    -0.06  -0.04  -0.03
    17   1    -0.11  -0.10  -0.00    -0.04  -0.02  -0.10     0.12  -0.09  -0.02
    18   1     0.37   0.23  -0.14     0.12   0.16  -0.11     0.18   0.26  -0.07
    19   1     0.32   0.14   0.40     0.17  -0.06   0.05     0.33  -0.24   0.14
    20   1    -0.03   0.06   0.00    -0.16  -0.27   0.35     0.01   0.17   0.01
    21   1    -0.01  -0.00   0.10    -0.24  -0.06  -0.07     0.11  -0.01   0.25
    22   1    -0.03   0.07  -0.04    -0.22  -0.09  -0.03     0.00   0.09  -0.01
    23   1    -0.12   0.01   0.09     0.24   0.02   0.07     0.01   0.01  -0.03
    24   1     0.02   0.01   0.14     0.18   0.01   0.05    -0.08  -0.04  -0.05
    25   1    -0.14  -0.02   0.07     0.25   0.03   0.08    -0.10  -0.03  -0.09
    26   1    -0.12  -0.03  -0.17    -0.14  -0.03  -0.03     0.21   0.09   0.18
                     13                     14                     15
                      A                      A                      A
 Frequencies --    534.0723               616.0103               649.6223
 Red. masses --      2.3221                 3.4550                 2.7700
 Frc consts  --      0.3902                 0.7725                 0.6887
 IR Inten    --      3.2799                 2.6774                 0.7256
 RamAct Fr= 1--      1.6224                 1.8681                23.1203
  Dep-P Fr= 1--      0.4004                 0.7145                 0.0057
  Dep-U Fr= 1--      0.5718                 0.8335                 0.0113
 Alpha2 Fr= 1--      0.0120                 0.0011                 0.5070
 Beta2  Fr= 1--      0.1546                 0.2595                 0.0434
 AlphaG Fr= 1--     -0.0402                -0.0159                 0.2986
 Gamma2 Fr= 1--      0.7716                -1.7290                -0.4640
 Delta2 Fr= 1--      0.5457                -0.9382                -0.2362
 Raman1 Fr= 1--       6.489                  7.473                 92.481
 ROA1   Fr= 1--      91.533               -196.008                -52.098
 CID1   Fr= 1--      14.105                -26.231                 -0.563
 Raman2 Fr= 1--       1.855                  3.114                  0.520
 ROA2   Fr= 1--      14.153                -33.991                 -9.246
 CID2   Fr= 1--       7.628                -10.915                -17.766
 Raman3 Fr= 1--       3.711                  6.228                  1.041
 ROA3   Fr= 1--      91.533               -196.008                -52.098
 CID3   Fr= 1--      24.666                -31.472                -50.053
 RC180  Fr= 1--       0.144                  0.667                 -0.977
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07  -0.01   0.03     0.06  -0.06   0.02    -0.05   0.03   0.03
     2   6     0.06   0.10   0.07     0.05  -0.15  -0.13     0.01   0.14   0.09
     3   6    -0.12  -0.05   0.16    -0.10   0.02   0.21     0.08  -0.03  -0.09
     4   6    -0.02   0.03  -0.03    -0.04   0.11  -0.01     0.06  -0.08  -0.01
     5   6     0.01  -0.04  -0.07     0.01   0.13  -0.02     0.04   0.02  -0.11
     6   6     0.07  -0.06  -0.09    -0.02  -0.06   0.05    -0.06  -0.03   0.06
     7   6     0.10  -0.03   0.06    -0.01  -0.04  -0.12     0.08   0.09  -0.03
     8   6    -0.04  -0.03   0.00    -0.01   0.11  -0.13     0.02  -0.01  -0.04
     9   1     0.22   0.18  -0.16     0.17   0.13  -0.02     0.09   0.08  -0.07
    10   1     0.08   0.07  -0.10     0.05  -0.13   0.00     0.09   0.12   0.08
    11   1     0.07   0.26   0.10    -0.04  -0.25  -0.16    -0.07   0.15   0.08
    12   1    -0.06  -0.01   0.04    -0.09   0.08   0.08    -0.11  -0.25   0.33
    13   1     0.11   0.15  -0.32     0.11   0.25  -0.33     0.17   0.01  -0.25
    14   1     0.10  -0.03  -0.11     0.16   0.13  -0.05     0.03   0.06  -0.18
    15   6    -0.01   0.04  -0.08     0.03  -0.08   0.17     0.02  -0.08   0.17
    16   6     0.04  -0.00   0.01    -0.02   0.00  -0.01    -0.16  -0.04  -0.06
    17   1     0.04  -0.10   0.07     0.07   0.03   0.02     0.08   0.13  -0.20
    18   1    -0.21  -0.06   0.21     0.07   0.06  -0.22    -0.10  -0.01   0.10
    19   1    -0.16  -0.02  -0.21    -0.00   0.19  -0.00    -0.05  -0.04  -0.22
    20   1    -0.06   0.09   0.00     0.03  -0.07   0.19     0.05  -0.03   0.08
    21   1    -0.04   0.03   0.07     0.04  -0.08   0.20     0.06  -0.09   0.20
    22   1    -0.08   0.17  -0.22     0.03  -0.07   0.17     0.07  -0.10   0.24
    23   1    -0.07  -0.03   0.02     0.12   0.09  -0.01    -0.05  -0.01  -0.07
    24   1     0.12   0.01   0.09    -0.05   0.04  -0.07    -0.24  -0.06  -0.14
    25   1     0.02  -0.00   0.05    -0.12   0.02  -0.10    -0.16  -0.04  -0.12
    26   1    -0.32  -0.15  -0.28    -0.04  -0.23  -0.20    -0.17   0.06  -0.05
                     16                     17                     18
                      A                      A                      A
 Frequencies --    734.4905               777.6637               799.5220
 Red. masses --      1.4072                 2.2336                 1.5741
 Frc consts  --      0.4473                 0.7959                 0.5928
 IR Inten    --      0.4474                 2.1128                 0.3752
 RamAct Fr= 1--      4.3980                 5.7558                 1.7255
  Dep-P Fr= 1--      0.2283                 0.1027                 0.6860
  Dep-U Fr= 1--      0.3717                 0.1863                 0.8138
 Alpha2 Fr= 1--      0.0554                 0.1001                 0.0019
 Beta2  Fr= 1--      0.2725                 0.1788                 0.2340
 AlphaG Fr= 1--     -0.4774                 0.4793                -0.0763
 Gamma2 Fr= 1--     -0.4360                 0.7947                 0.4701
 Delta2 Fr= 1--      0.4585                 0.9626                 1.7612
 Raman1 Fr= 1--      17.592                 23.023                  6.902
 ROA1   Fr= 1--     -27.189                107.091                101.490
 CID1   Fr= 1--      -1.545                  4.651                 14.705
 Raman2 Fr= 1--       3.270                  2.145                  2.808
 ROA2   Fr= 1--     -14.133                 11.372                 -2.807
 CID2   Fr= 1--      -4.323                  5.301                 -1.000
 Raman3 Fr= 1--       6.539                  4.290                  5.617
 ROA3   Fr= 1--     -27.189                107.091                101.490
 CID3   Fr= 1--      -4.158                 24.961                 18.070
 RC180  Fr= 1--      -0.257                 -0.627                  0.628
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.03  -0.01    -0.13  -0.11  -0.06     0.01   0.02  -0.08
     2   6     0.00  -0.06  -0.02    -0.01  -0.06  -0.03     0.03   0.07  -0.05
     3   6     0.03   0.06  -0.05    -0.02   0.06  -0.03    -0.04  -0.03   0.03
     4   6    -0.02   0.04   0.00    -0.06   0.08  -0.00    -0.01  -0.00   0.00
     5   6     0.03   0.01   0.02     0.16   0.07   0.02     0.02  -0.02   0.02
     6   6    -0.03   0.06   0.03    -0.00   0.01   0.00     0.03  -0.07  -0.03
     7   6    -0.03  -0.04   0.03     0.03   0.05  -0.00    -0.05   0.10  -0.02
     8   6     0.02  -0.07   0.04     0.09  -0.06   0.11    -0.01  -0.03   0.11
     9   1     0.08  -0.00  -0.07    -0.13  -0.17  -0.07    -0.28  -0.11   0.13
    10   1    -0.01  -0.08  -0.15     0.14  -0.11  -0.15     0.03   0.15   0.45
    11   1     0.06   0.07   0.00     0.03   0.08  -0.01     0.07  -0.42  -0.09
    12   1    -0.31  -0.22   0.56     0.04   0.18  -0.22    -0.10  -0.04   0.16
    13   1     0.18   0.25  -0.49    -0.24  -0.01   0.27     0.15   0.11  -0.27
    14   1     0.02  -0.04   0.09     0.25   0.17  -0.13     0.03   0.02  -0.04
    15   6    -0.02   0.04  -0.04     0.00  -0.01   0.03     0.01  -0.01  -0.02
    16   6     0.01   0.01   0.01    -0.03  -0.00  -0.02    -0.00  -0.02  -0.01
    17   1     0.01   0.01   0.03     0.08   0.13  -0.14    -0.09   0.06  -0.09
    18   1     0.08  -0.06  -0.03    -0.07  -0.43   0.32     0.04  -0.11   0.05
    19   1     0.06  -0.08   0.11    -0.18   0.08  -0.21    -0.02  -0.01   0.11
    20   1     0.01  -0.02  -0.10     0.01  -0.02   0.02    -0.02   0.05   0.03
    21   1    -0.00   0.04  -0.17     0.01  -0.01   0.01     0.01  -0.02   0.13
    22   1     0.03  -0.06   0.05     0.02  -0.03   0.05    -0.03   0.10  -0.11
    23   1    -0.00  -0.02  -0.00    -0.08  -0.00  -0.00    -0.03   0.04   0.02
    24   1    -0.03  -0.03  -0.00     0.01   0.02   0.01     0.10   0.07   0.05
    25   1     0.09   0.00   0.03    -0.07  -0.00   0.00    -0.15  -0.00  -0.02
    26   1    -0.07  -0.01  -0.05    -0.13  -0.06  -0.02     0.35  -0.13   0.08
                     19                     20                     21
                      A                      A                      A
 Frequencies --    833.8524               864.3223               892.7482
 Red. masses --      2.2210                 2.3719                 2.1851
 Frc consts  --      0.9099                 1.0440                 1.0261
 IR Inten    --      0.3716                 5.0505                 0.7622
 RamAct Fr= 1--      3.1046                12.2037                 3.4333
  Dep-P Fr= 1--      0.3325                 0.5281                 0.2757
  Dep-U Fr= 1--      0.4991                 0.6912                 0.4322
 Alpha2 Fr= 1--      0.0288                 0.0525                 0.0378
 Beta2  Fr= 1--      0.2582                 1.4058                 0.2473
 AlphaG Fr= 1--     -0.0059                -0.3625                 0.0161
 Gamma2 Fr= 1--     -0.2244                -3.3309                 1.8087
 Delta2 Fr= 1--     -0.1610                -1.5494                 0.4636
 Raman1 Fr= 1--      12.419                 48.815                 13.733
 ROA1   Fr= 1--     -26.696               -369.348                188.471
 CID1   Fr= 1--      -2.150                 -7.566                 13.724
 Raman2 Fr= 1--       3.099                 16.870                  2.968
 ROA2   Fr= 1--      -4.098                -67.547                 39.701
 CID2   Fr= 1--      -1.322                 -4.004                 13.378
 Raman3 Fr= 1--       6.198                 33.739                  5.935
 ROA3   Fr= 1--     -26.696               -369.348                188.471
 CID3   Fr= 1--      -4.307                -10.947                 31.754
 RC180  Fr= 1--      -0.002                  0.382                 -0.136
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.11  -0.01    -0.11  -0.01   0.02     0.15  -0.00   0.09
     2   6    -0.04  -0.06  -0.11    -0.00  -0.07  -0.07    -0.05  -0.02  -0.01
     3   6    -0.02  -0.03   0.06     0.08   0.05  -0.03    -0.02  -0.01  -0.02
     4   6     0.01  -0.03   0.01     0.04   0.02  -0.01    -0.01   0.00  -0.04
     5   6    -0.00  -0.06  -0.10    -0.08  -0.05   0.16    -0.06   0.02  -0.05
     6   6    -0.04   0.07   0.04     0.06  -0.08  -0.04    -0.05  -0.06   0.00
     7   6     0.16  -0.10  -0.00     0.13   0.06  -0.06    -0.01   0.04  -0.13
     8   6     0.01   0.03   0.11    -0.03   0.12   0.04    -0.02  -0.05   0.17
     9   1    -0.29   0.13   0.18    -0.05   0.11  -0.01     0.38   0.14  -0.07
    10   1    -0.27   0.01   0.03     0.12  -0.10  -0.11    -0.02  -0.04  -0.11
    11   1    -0.06  -0.23  -0.13    -0.14   0.02  -0.09    -0.25   0.13  -0.04
    12   1     0.07  -0.08  -0.09    -0.08  -0.28   0.24    -0.11   0.15   0.14
    13   1     0.01   0.05  -0.12    -0.17   0.06   0.03     0.09  -0.14   0.17
    14   1    -0.01   0.00  -0.20    -0.14  -0.18   0.33    -0.04   0.17  -0.26
    15   6    -0.01   0.03   0.01     0.02  -0.03  -0.02    -0.02  -0.01  -0.02
    16   6    -0.00   0.04   0.02    -0.02  -0.04  -0.03     0.09   0.00   0.04
    17   1     0.22  -0.02  -0.05     0.21   0.15  -0.05     0.08   0.20  -0.43
    18   1    -0.20   0.17   0.36    -0.15   0.35   0.17    -0.04   0.03   0.20
    19   1    -0.11   0.10  -0.04     0.01   0.02  -0.00    -0.04  -0.04   0.15
    20   1     0.02  -0.05  -0.04    -0.02   0.06   0.03    -0.01   0.06  -0.09
    21   1     0.01   0.04  -0.17    -0.00  -0.04   0.19     0.01  -0.02   0.06
    22   1     0.03  -0.12   0.14    -0.03   0.13  -0.16     0.01   0.03  -0.03
    23   1     0.04  -0.09  -0.04    -0.10   0.03   0.01     0.19   0.09   0.05
    24   1    -0.19  -0.14  -0.09     0.14   0.07   0.08     0.09   0.07   0.00
    25   1     0.27   0.01   0.03    -0.20  -0.02  -0.02    -0.03   0.02  -0.04
    26   1     0.17   0.04   0.10    -0.20   0.07   0.01    -0.14   0.07  -0.10
                     22                     23                     24
                      A                      A                      A
 Frequencies --    909.6935               919.4357               941.1284
 Red. masses --      1.4301                 1.8501                 2.0311
 Frc consts  --      0.6973                 0.9215                 1.0599
 IR Inten    --     35.2518                 5.6351                 1.6390
 RamAct Fr= 1--      8.4873                 1.5351                 5.6824
  Dep-P Fr= 1--      0.6933                 0.4689                 0.4906
  Dep-U Fr= 1--      0.8188                 0.6384                 0.6583
 Alpha2 Fr= 1--      0.0084                 0.0087                 0.0293
 Beta2  Fr= 1--      1.1583                 0.1633                 0.6234
 AlphaG Fr= 1--     -0.0627                -0.0978                 0.0724
 Gamma2 Fr= 1--      0.0759                -0.0448                 4.5074
 Delta2 Fr= 1--      0.3798                -0.5926                 2.2034
 Raman1 Fr= 1--      33.949                  6.140                 22.730
 ROA1   Fr= 1--      19.441                -23.268                503.219
 CID1   Fr= 1--       0.573                 -3.789                 22.139
 Raman2 Fr= 1--      13.900                  1.960                  7.481
 ROA2   Fr= 1--      -1.217                  3.665                 90.550
 CID2   Fr= 1--      -0.088                  1.870                 12.104
 Raman3 Fr= 1--      27.799                  3.920                 14.962
 ROA3   Fr= 1--      19.441                -23.268                503.219
 CID3   Fr= 1--       0.699                 -5.935                 33.633
 RC180  Fr= 1--       0.638                  0.277                  0.317
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.01   0.00     0.04   0.06  -0.02    -0.08   0.05   0.01
     2   6     0.03   0.02  -0.01    -0.06  -0.00  -0.00     0.03  -0.08  -0.05
     3   6    -0.02  -0.01   0.06    -0.06  -0.06  -0.01     0.04   0.01   0.03
     4   6     0.08   0.07  -0.12    -0.01  -0.04  -0.09     0.05  -0.02   0.03
     5   6     0.02  -0.03  -0.05    -0.03   0.13   0.11    -0.09   0.13  -0.06
     6   6    -0.01   0.02   0.01     0.02  -0.01  -0.01    -0.05  -0.05   0.01
     7   6    -0.02   0.00   0.02     0.05  -0.06   0.04    -0.01   0.08   0.09
     8   6    -0.02  -0.02  -0.01     0.10   0.02  -0.05     0.02  -0.10  -0.03
     9   1    -0.04   0.04   0.03    -0.08   0.02   0.07    -0.17   0.20   0.11
    10   1     0.06   0.03   0.11    -0.28   0.03  -0.06     0.07  -0.09  -0.07
    11   1     0.05  -0.10  -0.02    -0.00   0.00   0.01     0.13  -0.03  -0.03
    12   1    -0.23  -0.28   0.47    -0.26   0.19   0.39     0.12  -0.18  -0.10
    13   1    -0.38  -0.19   0.57     0.27  -0.26   0.17    -0.09   0.05  -0.03
    14   1     0.09  -0.02  -0.09    -0.16   0.15   0.12    -0.11   0.28  -0.26
    15   6    -0.00   0.01   0.00     0.01  -0.01  -0.01    -0.01  -0.04  -0.04
    16   6    -0.01   0.01   0.01    -0.00  -0.01  -0.02     0.05   0.01   0.04
    17   1    -0.04  -0.03   0.07     0.03  -0.09   0.07     0.11   0.20   0.20
    18   1     0.05   0.03  -0.10    -0.09  -0.27   0.19     0.07  -0.07  -0.09
    19   1     0.02   0.01   0.10    -0.06  -0.02  -0.38     0.19  -0.43  -0.14
    20   1     0.00  -0.01  -0.00    -0.01   0.03   0.01    -0.03   0.17  -0.10
    21   1     0.00   0.01  -0.04    -0.00  -0.02   0.08     0.04  -0.06   0.27
    22   1     0.01  -0.03   0.04    -0.01   0.05  -0.06     0.01   0.16  -0.13
    23   1     0.02  -0.02  -0.01    -0.09  -0.01  -0.00     0.18   0.04   0.03
    24   1    -0.07  -0.04  -0.03     0.07   0.03   0.04    -0.02   0.01  -0.04
    25   1     0.07   0.00   0.00    -0.05  -0.00   0.02     0.05   0.01  -0.02
    26   1     0.01  -0.09  -0.03     0.14   0.04   0.05    -0.05   0.08   0.06
                     25                     26                     27
                      A                      A                      A
 Frequencies --    956.9516               970.4257               992.5283
 Red. masses --      1.5056                 1.9395                 1.6957
 Frc consts  --      0.8124                 1.0761                 0.9842
 IR Inten    --      0.9269                 1.0595                 0.3031
 RamAct Fr= 1--      3.7815                 3.4610                 1.1109
  Dep-P Fr= 1--      0.6644                 0.7455                 0.5097
  Dep-U Fr= 1--      0.7984                 0.8542                 0.6752
 Alpha2 Fr= 1--      0.0058                 0.0003                 0.0052
 Beta2  Fr= 1--      0.5032                 0.4927                 0.1250
 AlphaG Fr= 1--      0.0243                 0.0038                 0.0402
 Gamma2 Fr= 1--      0.4241                -2.8607                 0.1471
 Delta2 Fr= 1--     -0.0966                -2.0935                -0.1116
 Raman1 Fr= 1--      15.126                 13.844                  4.444
 ROA1   Fr= 1--      37.621               -341.622                 10.551
 CID1   Fr= 1--       2.487                -24.676                  2.374
 Raman2 Fr= 1--       6.038                  5.913                  1.500
 ROA2   Fr= 1--      10.951                -51.909                  4.424
 CID2   Fr= 1--       1.814                 -8.779                  2.949
 Raman3 Fr= 1--      12.076                 11.826                  3.000
 ROA3   Fr= 1--      37.621               -341.622                 10.551
 CID3   Fr= 1--       3.115                -28.888                  3.517
 RC180  Fr= 1--       0.597                  0.708                  0.350
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.03    -0.04  -0.03  -0.05    -0.08   0.03   0.10
     2   6    -0.00  -0.01  -0.03     0.02   0.06   0.04     0.08   0.04  -0.07
     3   6     0.00  -0.00  -0.01     0.01   0.00  -0.00    -0.00  -0.00  -0.07
     4   6    -0.01  -0.01  -0.00     0.02   0.00   0.01    -0.06  -0.05  -0.03
     5   6    -0.01   0.03  -0.01     0.03   0.02   0.05     0.06   0.03   0.04
     6   6     0.09   0.02   0.05    -0.08  -0.09   0.10    -0.00  -0.02   0.04
     7   6     0.01   0.00   0.01     0.03  -0.06  -0.04     0.07  -0.03  -0.01
     8   6    -0.01  -0.04   0.03     0.01   0.06  -0.06    -0.05  -0.02   0.00
     9   1     0.05   0.09   0.01    -0.09  -0.16  -0.04     0.06   0.26   0.03
    10   1     0.01  -0.01   0.00     0.01   0.06   0.08     0.14   0.07   0.23
    11   1    -0.06  -0.03  -0.04     0.05  -0.01   0.04    -0.17  -0.20  -0.14
    12   1     0.00   0.06  -0.03     0.01  -0.08   0.01    -0.06   0.35  -0.03
    13   1     0.03  -0.04   0.03    -0.05   0.04  -0.03     0.26  -0.20   0.09
    14   1    -0.05   0.06  -0.04     0.10   0.01   0.04     0.12   0.04   0.01
    15   6     0.10   0.05  -0.04    -0.05   0.04  -0.10    -0.04   0.00  -0.03
    16   6    -0.11  -0.05   0.02     0.04  -0.05   0.12    -0.01   0.01  -0.00
    17   1    -0.00  -0.02   0.07     0.02  -0.04  -0.16     0.09  -0.06   0.27
    18   1     0.04  -0.03  -0.02    -0.05  -0.01   0.02     0.17  -0.11  -0.26
    19   1     0.03  -0.08   0.05    -0.10   0.18  -0.12     0.03   0.08   0.29
    20   1    -0.06  -0.25   0.48    -0.00   0.11  -0.27     0.01   0.11  -0.21
    21   1    -0.25   0.11  -0.28     0.03   0.03  -0.09     0.08  -0.02   0.05
    22   1    -0.22   0.07  -0.37     0.02   0.01  -0.00     0.06   0.00   0.07
    23   1     0.23   0.08  -0.01     0.63   0.23   0.10    -0.05  -0.04  -0.01
    24   1    -0.29  -0.01  -0.20    -0.20   0.08  -0.21    -0.03  -0.04   0.01
    25   1    -0.20  -0.03  -0.20    -0.20  -0.00  -0.25     0.06  -0.00   0.04
    26   1    -0.07   0.01  -0.02     0.07  -0.06   0.01    -0.24  -0.00  -0.06
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1012.3060              1032.9575              1066.5896
 Red. masses --      1.4767                 1.8057                 1.7341
 Frc consts  --      0.8916                 1.1352                 1.1623
 IR Inten    --      0.1185                 0.1835                 0.4068
 RamAct Fr= 1--      1.7375                 5.2128                 6.5192
  Dep-P Fr= 1--      0.2807                 0.1204                 0.5107
  Dep-U Fr= 1--      0.4384                 0.2149                 0.6761
 Alpha2 Fr= 1--      0.0189                 0.0868                 0.0306
 Beta2  Fr= 1--      0.1270                 0.1867                 0.7346
 AlphaG Fr= 1--      0.0084                 0.0782                -0.0859
 Gamma2 Fr= 1--      0.9514                -0.1297                -0.5954
 Delta2 Fr= 1--      0.6238                -0.1910                -1.1590
 Raman1 Fr= 1--       6.950                 20.851                 26.077
 ROA1   Fr= 1--     111.298                -18.566                -94.249
 CID1   Fr= 1--      16.014                 -0.890                 -3.614
 Raman2 Fr= 1--       1.523                  2.240                  8.815
 ROA2   Fr= 1--      17.844                 -1.585                 -5.017
 CID2   Fr= 1--      11.713                 -0.707                 -0.569
 Raman3 Fr= 1--       3.047                  4.480                 17.631
 ROA3   Fr= 1--     111.298                -18.566                -94.249
 CID3   Fr= 1--      36.528                 -4.144                 -5.346
 RC180  Fr= 1--      -0.123                 -0.570                  0.352
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.09  -0.02    -0.01  -0.08   0.00     0.07  -0.09  -0.02
     2   6    -0.05   0.06  -0.01    -0.01   0.09  -0.02    -0.13   0.02  -0.06
     3   6     0.03   0.02  -0.01     0.03   0.01  -0.01     0.02   0.02   0.02
     4   6     0.02   0.02   0.02     0.05   0.03   0.04    -0.04  -0.00  -0.02
     5   6    -0.02   0.04   0.03    -0.08   0.13   0.02     0.07  -0.01  -0.03
     6   6     0.01   0.00   0.01     0.03  -0.01   0.02     0.01  -0.01   0.02
     7   6     0.03  -0.04  -0.02     0.06  -0.10  -0.02     0.03   0.09   0.11
     8   6     0.01  -0.00   0.01    -0.02  -0.04   0.03    -0.01  -0.01  -0.03
     9   1     0.11  -0.12  -0.09     0.09  -0.08  -0.08     0.07   0.03  -0.00
    10   1    -0.03   0.07   0.12    -0.06   0.13   0.19    -0.15   0.04   0.05
    11   1    -0.17  -0.07  -0.05    -0.14  -0.16  -0.07    -0.16  -0.08  -0.07
    12   1     0.04  -0.10  -0.02     0.13  -0.22  -0.09    -0.05   0.19  -0.01
    13   1    -0.10   0.09  -0.03    -0.21   0.13  -0.01     0.10  -0.08   0.05
    14   1     0.00   0.04   0.02    -0.19   0.26  -0.13     0.38  -0.17   0.11
    15   6     0.02  -0.07  -0.04    -0.03   0.07   0.02    -0.03   0.01  -0.01
    16   6    -0.04   0.09   0.03     0.01  -0.04  -0.06    -0.01  -0.02   0.01
    17   1    -0.10  -0.18  -0.05    -0.07  -0.26  -0.02    -0.00   0.04   0.20
    18   1    -0.01  -0.03   0.03    -0.02   0.06   0.04    -0.14   0.47   0.12
    19   1    -0.02   0.04   0.02     0.10  -0.23   0.02     0.21  -0.42  -0.16
    20   1    -0.05   0.17   0.03     0.04  -0.10  -0.09     0.01   0.03  -0.12
    21   1     0.00  -0.08   0.36     0.03   0.07  -0.29     0.05   0.00  -0.02
    22   1    -0.03   0.24  -0.26     0.04  -0.18   0.22     0.04  -0.03   0.09
    23   1    -0.01  -0.20  -0.10    -0.20   0.03   0.02     0.07   0.04   0.02
    24   1    -0.34  -0.24  -0.12     0.25   0.10   0.13    -0.03   0.01  -0.02
    25   1     0.48   0.03   0.08    -0.20  -0.02   0.04    -0.09  -0.01  -0.05
    26   1    -0.01  -0.11  -0.07    -0.04  -0.18  -0.10     0.02  -0.13  -0.09
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1080.4611              1103.0372              1132.2573
 Red. masses --      1.8455                 1.3001                 1.4716
 Frc consts  --      1.2693                 0.9320                 1.1115
 IR Inten    --      1.1460                 0.1015                 5.1091
 RamAct Fr= 1--      2.6661                 2.9527                 2.4296
  Dep-P Fr= 1--      0.6731                 0.3889                 0.6053
  Dep-U Fr= 1--      0.8046                 0.5600                 0.7541
 Alpha2 Fr= 1--      0.0036                 0.0227                 0.0065
 Beta2  Fr= 1--      0.3575                 0.2756                 0.3054
 AlphaG Fr= 1--      0.0229                 0.0321                -0.1376
 Gamma2 Fr= 1--     -2.0707                 0.6367                -2.9097
 Delta2 Fr= 1--     -1.0741                 0.4271                -0.9134
 Raman1 Fr= 1--      10.664                 11.811                  9.718
 ROA1   Fr= 1--    -233.162                 74.792               -308.557
 CID1   Fr= 1--     -21.863                  6.333                -31.750
 Raman2 Fr= 1--       4.290                  3.307                  3.664
 ROA2   Fr= 1--     -41.104                 11.865                -62.524
 CID2   Fr= 1--      -9.581                  3.588                -17.063
 Raman3 Fr= 1--       8.581                  6.614                  7.329
 ROA3   Fr= 1--    -233.162                 74.792               -308.557
 CID3   Fr= 1--     -27.174                 11.308                -42.103
 RC180  Fr= 1--       0.609                  0.120                  0.508
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.02  -0.09    -0.03  -0.01   0.05    -0.00  -0.02   0.05
     2   6     0.00  -0.02   0.09     0.06  -0.00  -0.02    -0.00   0.02  -0.03
     3   6     0.00  -0.01   0.07     0.04   0.03  -0.02    -0.01  -0.01  -0.02
     4   6     0.00  -0.05  -0.03    -0.02  -0.02  -0.01     0.01   0.01   0.01
     5   6     0.05   0.13   0.02    -0.03   0.02   0.00     0.04   0.04  -0.08
     6   6     0.00   0.01   0.01    -0.00  -0.01  -0.02    -0.02   0.08   0.06
     7   6     0.05  -0.05  -0.05    -0.09  -0.04  -0.01    -0.02  -0.04   0.06
     8   6    -0.13  -0.07   0.00     0.05   0.01   0.00     0.02  -0.06  -0.03
     9   1    -0.21  -0.16  -0.00    -0.04   0.31   0.12     0.06   0.10   0.02
    10   1     0.01  -0.06  -0.14     0.25  -0.02   0.10    -0.24   0.09   0.07
    11   1     0.12   0.16   0.13     0.38  -0.14   0.02     0.13  -0.13  -0.02
    12   1    -0.03   0.11   0.03    -0.03   0.13  -0.01     0.05  -0.02  -0.07
    13   1     0.16  -0.13   0.04     0.10  -0.08   0.04    -0.09   0.02   0.05
    14   1     0.27   0.03   0.10     0.07  -0.06   0.08    -0.30  -0.23   0.37
    15   6     0.02  -0.01  -0.01     0.00   0.01   0.01     0.01  -0.05  -0.03
    16   6    -0.01   0.02  -0.02    -0.00   0.03   0.01     0.01  -0.05  -0.03
    17   1     0.11   0.08  -0.40    -0.31  -0.23  -0.38     0.19   0.26  -0.26
    18   1    -0.02   0.42  -0.14    -0.19   0.27   0.28    -0.04   0.11   0.04
    19   1     0.14  -0.18   0.36     0.02  -0.12  -0.21    -0.11   0.25   0.13
    20   1    -0.01  -0.00   0.07     0.01  -0.04   0.02    -0.04   0.12   0.03
    21   1    -0.03  -0.00   0.03    -0.00   0.01  -0.05    -0.02  -0.05   0.21
    22   1    -0.02   0.05  -0.08    -0.01  -0.03   0.02    -0.00   0.15  -0.15
    23   1    -0.10  -0.05  -0.02     0.01  -0.04  -0.02    -0.06   0.09   0.05
    24   1     0.02  -0.03   0.04    -0.05  -0.05  -0.01     0.15   0.11   0.05
    25   1     0.06   0.00   0.05     0.11   0.01   0.01    -0.21  -0.02   0.00
    26   1     0.14   0.07   0.10    -0.07  -0.10  -0.06    -0.03  -0.19  -0.11
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1171.5632              1214.7820              1225.6054
 Red. masses --      1.5883                 1.5442                 1.5578
 Frc consts  --      1.2844                 1.3426                 1.3787
 IR Inten    --      2.2865                 1.4122                 1.0076
 RamAct Fr= 1--     10.2959                 9.5911                 3.0736
  Dep-P Fr= 1--      0.7499                 0.5782                 0.7020
  Dep-U Fr= 1--      0.8571                 0.7327                 0.8249
 Alpha2 Fr= 1--      0.0000                 0.0309                 0.0026
 Beta2  Fr= 1--      1.4707                 1.1713                 0.4226
 AlphaG Fr= 1--     -0.0009                -0.0577                -0.0142
 Gamma2 Fr= 1--      1.4547                -1.5420                -0.6483
 Delta2 Fr= 1--     -0.2724                 0.1349                 0.3961
 Raman1 Fr= 1--      41.184                 38.364                 12.294
 ROA1   Fr= 1--     130.935               -143.715                -49.557
 CID1   Fr= 1--       3.179                 -3.746                 -4.031
 Raman2 Fr= 1--      17.649                 14.055                  5.071
 ROA2   Fr= 1--      37.093                -38.087                -18.727
 CID2   Fr= 1--       2.102                 -2.710                 -3.693
 Raman3 Fr= 1--      35.298                 28.111                 10.142
 ROA3   Fr= 1--     130.935               -143.715                -49.557
 CID3   Fr= 1--       3.709                 -5.112                 -4.886
 RC180  Fr= 1--       0.714                  0.465                  0.650
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.03  -0.03     0.00  -0.01   0.02    -0.03   0.02   0.01
     2   6    -0.01  -0.05   0.01    -0.03  -0.01   0.02     0.06   0.03  -0.05
     3   6    -0.02  -0.02   0.05     0.01  -0.00  -0.02    -0.02   0.00   0.03
     4   6    -0.00   0.01  -0.01    -0.01   0.01   0.00     0.02  -0.02  -0.01
     5   6     0.03   0.04  -0.07     0.01   0.03  -0.01     0.02   0.08  -0.05
     6   6     0.13   0.03   0.06     0.12  -0.11  -0.07    -0.06  -0.06  -0.11
     7   6     0.01   0.03  -0.03     0.01   0.03   0.02    -0.05  -0.04   0.02
     8   6     0.01  -0.03   0.03    -0.04   0.02   0.01     0.02  -0.01   0.04
     9   1    -0.06   0.01   0.04    -0.04   0.17   0.08     0.16  -0.42  -0.22
    10   1     0.40  -0.13  -0.04    -0.29   0.02  -0.09     0.06   0.05   0.10
    11   1    -0.17   0.12  -0.01     0.27  -0.01   0.08    -0.25  -0.06  -0.12
    12   1    -0.01   0.02  -0.01     0.00   0.03  -0.02     0.03  -0.05  -0.01
    13   1    -0.03   0.02   0.00    -0.05   0.02   0.02     0.06  -0.05   0.02
    14   1    -0.42  -0.11   0.23    -0.28  -0.06   0.17    -0.12  -0.28   0.46
    15   6    -0.08  -0.02  -0.03    -0.05   0.04   0.03     0.02   0.02   0.04
    16   6    -0.05  -0.03   0.00    -0.04   0.04   0.04     0.01   0.03   0.04
    17   1    -0.29  -0.33   0.04     0.18   0.27  -0.23     0.10   0.13   0.09
    18   1    -0.02   0.04   0.06     0.12  -0.22  -0.17    -0.03   0.01   0.10
    19   1    -0.01   0.01   0.03     0.03  -0.05   0.05     0.03  -0.12  -0.08
    20   1     0.00   0.15  -0.29     0.05  -0.09  -0.16     0.02  -0.12   0.08
    21   1     0.15  -0.05   0.10     0.12   0.02  -0.14    -0.03   0.03  -0.07
    22   1     0.12   0.03   0.14     0.04  -0.13   0.21    -0.03  -0.11   0.07
    23   1     0.00   0.01  -0.00     0.09  -0.12  -0.06     0.13  -0.03  -0.01
    24   1    -0.11  -0.01  -0.07    -0.23  -0.12  -0.09    -0.07  -0.02  -0.03
    25   1    -0.13  -0.02  -0.07     0.17   0.02  -0.06     0.13   0.02  -0.04
    26   1     0.01   0.23   0.11     0.07  -0.28  -0.14    -0.13   0.31   0.15
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1231.6600              1244.9767              1264.6837
 Red. masses --      1.7511                 2.2311                 1.4647
 Frc consts  --      1.5651                 2.0375                 1.3802
 IR Inten    --      1.1306                 2.5855                 1.1033
 RamAct Fr= 1--      8.7934                 4.6289                 4.4957
  Dep-P Fr= 1--      0.6305                 0.1499                 0.5882
  Dep-U Fr= 1--      0.7734                 0.2607                 0.7407
 Alpha2 Fr= 1--      0.0191                 0.0716                 0.0136
 Beta2  Fr= 1--      1.1334                 0.2011                 0.5550
 AlphaG Fr= 1--     -0.0412                -0.0268                -0.0543
 Gamma2 Fr= 1--     -1.4638                -1.9999                 1.4653
 Delta2 Fr= 1--     -0.5578                -0.9097                 0.7015
 Raman1 Fr= 1--      35.174                 18.516                 17.983
 ROA1   Fr= 1--    -158.377               -221.098                163.119
 CID1   Fr= 1--      -4.503                -11.941                  9.071
 Raman2 Fr= 1--      13.601                  2.413                  6.660
 ROA2   Fr= 1--     -30.669                -40.720                 29.556
 CID2   Fr= 1--      -2.255                -16.872                  4.438
 Raman3 Fr= 1--      27.203                  4.827                 13.320
 ROA3   Fr= 1--    -158.377               -221.098                163.119
 CID3   Fr= 1--      -5.822                -45.805                 12.246
 RC180  Fr= 1--       0.547                 -0.479                  0.481
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.05  -0.05     0.02   0.02   0.01     0.03  -0.03  -0.04
     2   6    -0.07   0.01  -0.01    -0.00  -0.00  -0.05    -0.03   0.01   0.04
     3   6     0.05   0.03   0.03    -0.05  -0.04   0.00    -0.00  -0.01  -0.02
     4   6    -0.01  -0.01  -0.01     0.01   0.01   0.00    -0.00   0.02   0.01
     5   6    -0.09   0.03  -0.01     0.02  -0.03  -0.01     0.02   0.02  -0.06
     6   6    -0.03  -0.08  -0.04     0.04  -0.14   0.22    -0.11  -0.02   0.02
     7   6     0.05   0.04   0.08    -0.06  -0.01   0.08     0.04  -0.03   0.00
     8   6     0.06  -0.11  -0.07     0.01   0.06  -0.05    -0.03   0.08   0.05
     9   1    -0.12   0.21   0.12     0.09  -0.16  -0.07    -0.20   0.43   0.22
    10   1     0.39  -0.06   0.08     0.19  -0.02   0.09     0.31  -0.06   0.02
    11   1    -0.16   0.06  -0.01    -0.09  -0.02  -0.06    -0.22   0.11   0.01
    12   1    -0.03   0.05   0.03     0.02  -0.07  -0.01     0.00   0.01  -0.01
    13   1     0.07  -0.03  -0.01    -0.05   0.04  -0.02    -0.06   0.04  -0.00
    14   1     0.06  -0.03   0.04     0.04   0.04  -0.11    -0.04  -0.23   0.29
    15   6     0.01   0.04   0.02     0.01   0.05  -0.06     0.04   0.01  -0.00
    16   6     0.01   0.02   0.00    -0.01   0.06  -0.08     0.03   0.01  -0.01
    17   1     0.04   0.05  -0.02     0.14   0.32  -0.40    -0.00  -0.08  -0.02
    18   1    -0.03   0.07   0.04     0.01  -0.03  -0.05     0.15  -0.33  -0.15
    19   1    -0.28   0.64   0.28     0.04  -0.06  -0.17     0.12  -0.28  -0.13
    20   1     0.03  -0.12   0.03     0.02  -0.00  -0.09    -0.01  -0.04   0.13
    21   1    -0.03   0.05  -0.15    -0.05   0.07  -0.22    -0.11   0.03  -0.01
    22   1    -0.05  -0.11   0.05    -0.07   0.03  -0.13    -0.07  -0.02  -0.10
    23   1     0.01  -0.03  -0.02    -0.32  -0.14  -0.09    -0.04   0.02   0.01
    24   1     0.02  -0.02   0.03     0.08  -0.15   0.14     0.09   0.01   0.05
    25   1     0.08   0.01   0.02     0.12   0.02   0.22     0.02   0.00   0.07
    26   1     0.03   0.07   0.04    -0.11   0.30   0.13     0.12  -0.14  -0.07
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1288.8859              1293.3832              1317.6069
 Red. masses --      1.6423                 1.7058                 1.8432
 Frc consts  --      1.6074                 1.6813                 1.8853
 IR Inten    --      2.7381                 0.8457                 0.5052
 RamAct Fr= 1--      4.7911                 3.5722                 4.0052
  Dep-P Fr= 1--      0.5707                 0.5466                 0.3816
  Dep-U Fr= 1--      0.7267                 0.7068                 0.5524
 Alpha2 Fr= 1--      0.0162                 0.0139                 0.0316
 Beta2  Fr= 1--      0.5803                 0.4208                 0.3687
 AlphaG Fr= 1--     -0.0276                 0.0402                -0.0370
 Gamma2 Fr= 1--      4.5573                 0.6009                -2.6320
 Delta2 Fr= 1--      3.5321                 0.0844                -1.0647
 Raman1 Fr= 1--      19.164                 14.289                 16.021
 ROA1   Fr= 1--     550.532                 60.384               -286.742
 CID1   Fr= 1--      28.727                  4.226                -17.898
 Raman2 Fr= 1--       6.964                  5.050                  4.425
 ROA2   Fr= 1--      81.119                 13.745                -54.650
 CID2   Fr= 1--      11.649                  2.722                -12.351
 Raman3 Fr= 1--      13.927                 10.100                  8.849
 ROA3   Fr= 1--     550.532                 60.384               -286.742
 CID3   Fr= 1--      39.530                  5.979                -32.402
 RC180  Fr= 1--       0.453                  0.414                  0.105
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.06   0.02     0.02   0.04   0.04    -0.03  -0.04   0.01
     2   6     0.02  -0.02   0.05     0.03  -0.04  -0.00    -0.04   0.00  -0.02
     3   6    -0.00  -0.01  -0.02    -0.14  -0.08  -0.11     0.08   0.09   0.08
     4   6     0.00   0.00   0.00     0.07   0.01   0.04    -0.02  -0.04  -0.03
     5   6     0.06   0.02  -0.01    -0.05   0.08  -0.00    -0.09   0.00  -0.10
     6   6    -0.04  -0.10   0.07     0.03  -0.01   0.01    -0.03  -0.04   0.09
     7   6    -0.04   0.04  -0.12     0.02   0.06  -0.01     0.07   0.07  -0.06
     8   6     0.04  -0.06  -0.00     0.02  -0.03   0.01     0.01   0.02   0.05
     9   1    -0.01  -0.04  -0.02     0.02   0.12   0.05     0.11  -0.23  -0.13
    10   1    -0.06  -0.02  -0.06    -0.21   0.00  -0.07    -0.27   0.04  -0.08
    11   1    -0.06   0.12   0.05     0.02   0.03   0.00     0.52  -0.12   0.07
    12   1     0.02   0.01  -0.03     0.13  -0.32  -0.07    -0.02   0.05  -0.01
    13   1    -0.04   0.00   0.02    -0.11   0.08  -0.02     0.21  -0.15   0.06
    14   1    -0.23   0.00   0.09     0.70  -0.25   0.27     0.07  -0.23   0.18
    15   6     0.02   0.03  -0.02    -0.01   0.01   0.00     0.01   0.01  -0.02
    16   6     0.01   0.05  -0.02    -0.00   0.00  -0.00     0.02   0.01  -0.03
    17   1     0.03   0.01   0.55    -0.18  -0.18  -0.01    -0.16  -0.24   0.15
    18   1    -0.14   0.33   0.21     0.00  -0.05   0.04     0.14  -0.30  -0.11
    19   1    -0.05   0.07  -0.00    -0.05   0.12   0.10    -0.05   0.07  -0.00
    20   1     0.01  -0.04   0.02     0.01  -0.00  -0.05     0.00  -0.01   0.00
    21   1    -0.07   0.04  -0.09     0.02   0.00  -0.03    -0.04   0.02  -0.04
    22   1    -0.07  -0.03  -0.08     0.00  -0.01   0.02    -0.04   0.00  -0.06
    23   1    -0.11  -0.09  -0.05    -0.01  -0.03  -0.01    -0.13  -0.01  -0.00
    24   1     0.01  -0.11   0.06    -0.02  -0.02  -0.00     0.05  -0.05   0.04
    25   1     0.08   0.02   0.10    -0.01   0.00  -0.01    -0.06   0.00   0.09
    26   1     0.20  -0.45  -0.21    -0.03   0.03  -0.00    -0.10   0.11   0.07
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1327.0278              1349.9229              1373.8691
 Red. masses --      1.6437                 1.6964                 1.4409
 Frc consts  --      1.7054                 1.8214                 1.6024
 IR Inten    --      1.8627                 1.4534                 0.2508
 RamAct Fr= 1--      1.1483                 3.7346                 2.3324
  Dep-P Fr= 1--      0.7121                 0.6051                 0.7478
  Dep-U Fr= 1--      0.8318                 0.7539                 0.8557
 Alpha2 Fr= 1--      0.0008                 0.0100                 0.0001
 Beta2  Fr= 1--      0.1592                 0.4693                 0.3326
 AlphaG Fr= 1--     -0.0006                -0.0197                -0.0004
 Gamma2 Fr= 1--      1.9865                -1.0212                -0.0658
 Delta2 Fr= 1--      1.5014                -1.0773                -0.2359
 Raman1 Fr= 1--       4.593                 14.938                  9.329
 ROA1   Fr= 1--     238.750               -132.511                -13.862
 CID1   Fr= 1--      51.980                 -8.871                 -1.486
 Raman2 Fr= 1--       1.910                  5.631                  3.992
 ROA2   Fr= 1--      35.665                -15.891                  0.308
 CID2   Fr= 1--      18.669                 -2.822                  0.077
 Raman3 Fr= 1--       3.821                 11.262                  7.983
 ROA3   Fr= 1--     238.750               -132.511                -13.862
 CID3   Fr= 1--      62.489                -11.766                 -1.736
 RC180  Fr= 1--       0.664                  0.508                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.06   0.01    -0.01   0.13   0.07     0.03   0.02   0.03
     2   6    -0.02   0.02  -0.02    -0.07  -0.05  -0.05    -0.14   0.04  -0.02
     3   6    -0.05  -0.08  -0.03    -0.03   0.00  -0.03    -0.05  -0.02  -0.03
     4   6     0.00   0.04   0.01     0.01  -0.01   0.00     0.02   0.01   0.01
     5   6     0.12   0.00   0.04     0.05  -0.01   0.02    -0.00   0.02   0.01
     6   6    -0.09  -0.05  -0.03    -0.06  -0.01  -0.03     0.02   0.03  -0.01
     7   6     0.06   0.06  -0.01     0.09   0.05   0.09    -0.01  -0.07  -0.06
     8   6    -0.03  -0.03  -0.02    -0.03   0.00  -0.02    -0.00   0.01   0.01
     9   1    -0.00   0.18   0.09     0.17  -0.44  -0.19     0.08  -0.06  -0.03
    10   1    -0.17   0.05  -0.02     0.30  -0.12  -0.00     0.55  -0.07   0.12
    11   1     0.40  -0.10   0.04     0.07   0.00  -0.02     0.56  -0.06   0.10
    12   1    -0.02   0.06   0.03     0.03  -0.09  -0.03     0.04  -0.11  -0.02
    13   1    -0.21   0.15  -0.06     0.05  -0.04   0.03     0.00   0.01  -0.00
    14   1    -0.36   0.14  -0.03    -0.13   0.06  -0.03     0.11  -0.02   0.03
    15   6     0.03   0.02  -0.00     0.02   0.01  -0.00    -0.01  -0.02   0.02
    16   6     0.02   0.02   0.01     0.01  -0.01   0.00    -0.01  -0.01   0.01
    17   1    -0.16  -0.21   0.04    -0.26  -0.28  -0.33     0.32   0.23   0.31
    18   1    -0.03   0.19  -0.03     0.06  -0.04  -0.13    -0.04  -0.04   0.07
    19   1     0.01   0.01   0.09     0.00   0.01   0.05     0.05  -0.06   0.04
    20   1    -0.00  -0.07   0.11    -0.00  -0.05   0.08     0.01   0.04  -0.05
    21   1    -0.08   0.02   0.01    -0.04   0.01   0.04     0.02  -0.01  -0.04
    22   1    -0.05  -0.08  -0.02    -0.02  -0.06   0.01     0.01   0.07  -0.02
    23   1     0.03  -0.02  -0.01     0.04   0.03   0.01     0.01   0.02   0.01
    24   1     0.01  -0.03   0.02     0.03   0.02   0.01    -0.01   0.05  -0.02
    25   1     0.05   0.01   0.03     0.01  -0.01   0.01     0.02  -0.01  -0.04
    26   1    -0.24   0.47   0.21     0.12  -0.39  -0.24    -0.01   0.04   0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1405.5161              1423.6932              1456.8154
 Red. masses --      1.2580                 1.2170                 1.1947
 Frc consts  --      1.4642                 1.4534                 1.4939
 IR Inten    --      6.2356                 6.7113                 1.9831
 RamAct Fr= 1--      0.2934                 0.7819                35.7229
  Dep-P Fr= 1--      0.3279                 0.0508                 0.3528
  Dep-U Fr= 1--      0.4939                 0.0968                 0.5216
 Alpha2 Fr= 1--      0.0028                 0.0154                 0.3108
 Beta2  Fr= 1--      0.0242                 0.0126                 3.1053
 AlphaG Fr= 1--     -0.0020                 0.0129                -0.1364
 Gamma2 Fr= 1--      0.0956                -0.0739                -0.2733
 Delta2 Fr= 1--      0.0243                -0.0122                 0.3562
 Raman1 Fr= 1--       1.174                  3.128                142.891
 ROA1   Fr= 1--       9.956                 -7.481                -14.839
 CID1   Fr= 1--       8.483                 -2.392                 -0.104
 Raman2 Fr= 1--       0.290                  0.151                 37.263
 ROA2   Fr= 1--       2.100                 -1.676                 -9.409
 CID2   Fr= 1--       7.245                -11.075                 -0.253
 Raman3 Fr= 1--       0.580                  0.303                 74.526
 ROA3   Fr= 1--       9.956                 -7.481                -14.839
 CID3   Fr= 1--      17.176                -24.721                 -0.199
 RC180  Fr= 1--      -0.012                 -0.806                  0.043
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.02   0.03   0.01
     2   6    -0.00   0.00   0.01    -0.01   0.01   0.00    -0.01  -0.00  -0.01
     3   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.07  -0.08   0.00
     4   6     0.00   0.00   0.00     0.00   0.00   0.00     0.02  -0.03  -0.00
     5   6    -0.01   0.00  -0.01    -0.01  -0.00   0.00    -0.04   0.02  -0.02
     6   6     0.02  -0.01   0.03     0.01   0.00   0.01     0.00   0.00   0.01
     7   6    -0.01  -0.00  -0.01    -0.01  -0.01  -0.00     0.00  -0.00   0.00
     8   6     0.01  -0.00   0.01     0.00   0.01  -0.01     0.00   0.00   0.00
     9   1    -0.01   0.00   0.01     0.01   0.01  -0.00     0.11  -0.09  -0.10
    10   1     0.01  -0.00  -0.03     0.05  -0.01  -0.01     0.04  -0.01   0.01
    11   1     0.03  -0.02   0.01     0.01  -0.02   0.00     0.03   0.00   0.00
    12   1     0.01  -0.02  -0.01     0.01  -0.03  -0.00    -0.12   0.64   0.20
    13   1     0.01  -0.01   0.00     0.02  -0.00   0.00    -0.58   0.27  -0.19
    14   1     0.03  -0.01   0.00     0.04   0.01  -0.02     0.15  -0.07   0.05
    15   6    -0.01   0.04  -0.09    -0.00   0.04  -0.09     0.00   0.00  -0.00
    16   6    -0.10  -0.02  -0.03     0.08   0.02   0.02     0.00  -0.00  -0.00
    17   1     0.03   0.03   0.03     0.05   0.05   0.01    -0.00  -0.00  -0.00
    18   1     0.03   0.02  -0.02    -0.04  -0.04   0.05     0.00  -0.05   0.01
    19   1    -0.04   0.01  -0.06     0.05  -0.01   0.06     0.00   0.00   0.01
    20   1    -0.11  -0.17   0.28    -0.11  -0.17   0.29    -0.00   0.01   0.00
    21   1     0.03  -0.00   0.39    -0.02   0.01   0.44    -0.02   0.00   0.02
    22   1     0.15  -0.27   0.26     0.13  -0.33   0.27     0.00  -0.02   0.01
    23   1     0.36   0.17  -0.04    -0.33  -0.15   0.03    -0.01   0.01   0.01
    24   1     0.29   0.18   0.25    -0.27  -0.20  -0.22     0.00   0.01  -0.01
    25   1     0.41  -0.07   0.11    -0.38   0.07  -0.07    -0.00  -0.00   0.00
    26   1    -0.01   0.01  -0.00     0.01   0.00   0.00     0.10  -0.04   0.04
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1478.3650              1485.1541              1487.0037
 Red. masses --      1.0766                 1.0508                 1.0557
 Frc consts  --      1.3863                 1.3656                 1.3753
 IR Inten    --      3.6404                 3.0541                 2.3279
 RamAct Fr= 1--      7.9870                 8.3234                 1.9461
  Dep-P Fr= 1--      0.6056                 0.7433                 0.7464
  Dep-U Fr= 1--      0.7544                 0.8527                 0.8548
 Alpha2 Fr= 1--      0.0213                 0.0010                 0.0001
 Beta2  Fr= 1--      1.0042                 1.1829                 0.2773
 AlphaG Fr= 1--     -0.0032                 0.0040                 0.0015
 Gamma2 Fr= 1--     -0.8676                -0.7671                -0.3731
 Delta2 Fr= 1--      1.9718                -3.2413                -0.0516
 Raman1 Fr= 1--      31.948                 33.294                  7.784
 ROA1   Fr= 1--     -20.191               -177.366                -37.469
 CID1   Fr= 1--      -0.632                 -5.327                 -4.813
 Raman2 Fr= 1--      12.050                 14.195                  3.327
 ROA2   Fr= 1--     -36.597                  7.519                 -8.542
 CID2   Fr= 1--      -3.037                  0.530                 -2.567
 Raman3 Fr= 1--      24.101                 28.391                  6.654
 ROA3   Fr= 1--     -20.191               -177.366                -37.469
 CID3   Fr= 1--      -0.838                 -6.247                 -5.631
 RC180  Fr= 1--       0.509                  0.705                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.02  -0.01    -0.03  -0.01  -0.00    -0.01   0.00   0.00
     2   6    -0.01   0.01   0.01    -0.00  -0.01  -0.01    -0.00   0.02   0.01
     3   6    -0.02   0.00  -0.00    -0.00   0.00  -0.00    -0.01  -0.00  -0.01
     4   6    -0.00   0.01   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     5   6     0.01  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.01
     6   6     0.00  -0.00   0.01    -0.01  -0.01  -0.00    -0.01   0.00  -0.02
     7   6     0.00   0.01   0.01     0.01   0.00   0.00     0.00  -0.00   0.00
     8   6    -0.00   0.01  -0.02    -0.00   0.00  -0.01    -0.00  -0.01   0.02
     9   1     0.42   0.31  -0.29     0.18   0.13  -0.12     0.06   0.04  -0.04
    10   1     0.03  -0.04  -0.19    -0.01   0.01   0.09     0.06  -0.03  -0.17
    11   1    -0.04  -0.20  -0.02     0.02   0.08   0.01    -0.03  -0.17  -0.02
    12   1     0.01  -0.07  -0.03     0.01  -0.03  -0.01     0.00   0.00   0.00
    13   1     0.06  -0.03   0.02     0.03  -0.01   0.01    -0.02   0.01  -0.00
    14   1    -0.03   0.01  -0.01    -0.02   0.00   0.00     0.01   0.00   0.01
    15   6     0.00   0.01   0.01    -0.00  -0.03  -0.02    -0.04   0.00  -0.00
    16   6    -0.00  -0.01   0.00    -0.01   0.03   0.01     0.01   0.01  -0.03
    17   1    -0.02  -0.01  -0.02    -0.01  -0.01  -0.01     0.01   0.00   0.01
    18   1    -0.10  -0.08   0.10    -0.02  -0.04   0.02     0.07   0.08  -0.08
    19   1     0.09  -0.02   0.12     0.02  -0.00   0.03    -0.08   0.02  -0.12
    20   1     0.08  -0.11  -0.13    -0.19   0.34   0.30    -0.04  -0.29   0.16
    21   1     0.02   0.00   0.10    -0.13   0.01  -0.25     0.46  -0.06  -0.09
    22   1    -0.14  -0.08  -0.09     0.34   0.17   0.23     0.13   0.32  -0.02
    23   1    -0.07   0.06   0.05     0.20  -0.31  -0.18     0.17   0.21   0.03
    24   1    -0.00   0.13  -0.07     0.13  -0.18   0.25    -0.10  -0.36   0.06
    25   1     0.11  -0.02  -0.02    -0.16   0.04  -0.17    -0.20   0.01   0.42
    26   1     0.47  -0.02   0.39     0.20  -0.01   0.16     0.06  -0.00   0.05
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1502.6174              1505.2099              1515.4785
 Red. masses --      1.0715                 1.0673                 1.0670
 Frc consts  --      1.4254                 1.4248                 1.4438
 IR Inten    --      6.1075                 5.9165                 5.1318
 RamAct Fr= 1--      8.5934                 3.2238                 3.5162
  Dep-P Fr= 1--      0.7488                 0.6412                 0.7180
  Dep-U Fr= 1--      0.8564                 0.7814                 0.8359
 Alpha2 Fr= 1--      0.0002                 0.0063                 0.0019
 Beta2  Fr= 1--      1.2265                 0.4198                 0.4898
 AlphaG Fr= 1--     -0.0023                 0.0028                -0.0138
 Gamma2 Fr= 1--     -1.3095                 2.7425                 1.8354
 Delta2 Fr= 1--      0.9147                 0.4005                 0.3723
 Raman1 Fr= 1--      34.374                 12.895                 14.065
 ROA1   Fr= 1--     -96.440                276.101                188.112
 CID1   Fr= 1--      -2.806                 21.411                 13.375
 Raman2 Fr= 1--      14.718                  5.038                  5.878
 ROA2   Fr= 1--     -38.746                 62.617                 41.072
 CID2   Fr= 1--      -2.632                 12.429                  6.987
 Raman3 Fr= 1--      29.437                 10.076                 11.756
 ROA3   Fr= 1--     -96.440                276.101                188.112
 CID3   Fr= 1--      -3.276                 27.402                 16.001
 RC180  Fr= 1--       0.713                  0.563                  0.672
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.02  -0.01  -0.00    -0.00  -0.01  -0.00
     2   6     0.01  -0.02  -0.02    -0.00  -0.03  -0.03     0.00  -0.03  -0.03
     3   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.01   0.00
     4   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   6     0.01  -0.00  -0.00    -0.00   0.00   0.01     0.00  -0.01  -0.01
     6   6    -0.02  -0.03   0.01     0.02   0.00  -0.03    -0.01   0.03   0.01
     7   6     0.00   0.01  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   6     0.00   0.02  -0.03    -0.00  -0.00   0.01    -0.00   0.02  -0.03
     9   1     0.00   0.01  -0.00     0.10   0.07  -0.07     0.00   0.01  -0.01
    10   1    -0.07   0.04   0.23    -0.07   0.05   0.35    -0.07   0.06   0.35
    11   1     0.02   0.25   0.02     0.07   0.35   0.04     0.05   0.37   0.03
    12   1    -0.00   0.00  -0.00     0.00  -0.03  -0.01    -0.00   0.01   0.00
    13   1     0.01  -0.00   0.00     0.03  -0.01   0.01     0.00  -0.00   0.00
    14   1    -0.03  -0.01   0.01     0.00   0.01   0.00    -0.01   0.00  -0.01
    15   6    -0.03  -0.01  -0.02     0.02  -0.01   0.01    -0.01   0.02   0.01
    16   6     0.01  -0.03   0.01     0.00  -0.01  -0.03    -0.01   0.02  -0.00
    17   1    -0.03  -0.02  -0.00     0.01   0.01  -0.01    -0.01  -0.02   0.00
    18   1    -0.14  -0.13   0.16     0.03   0.04  -0.03    -0.16  -0.17   0.18
    19   1     0.15  -0.03   0.21    -0.04   0.00  -0.05     0.17  -0.05   0.23
    20   1    -0.12  -0.07   0.28    -0.00   0.24  -0.08     0.12  -0.35  -0.14
    21   1     0.26  -0.03  -0.19    -0.32   0.04   0.02     0.25  -0.03   0.17
    22   1     0.25   0.29   0.09    -0.03  -0.20   0.07    -0.19  -0.01  -0.17
    23   1    -0.26   0.21   0.16     0.08   0.38   0.13     0.23  -0.18  -0.13
    24   1    -0.08   0.31  -0.26    -0.17  -0.21  -0.09     0.11  -0.18   0.23
    25   1     0.26  -0.04   0.01    -0.06  -0.03   0.47    -0.16   0.03  -0.06
    26   1     0.00  -0.00   0.00     0.11   0.00   0.10     0.00   0.00   0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1523.4688              1711.3242              3023.7682
 Red. masses --      1.0841                 5.7703                 1.0391
 Frc consts  --      1.4825                 9.9566                 5.5975
 IR Inten    --      5.9389                33.4783                15.7442
 RamAct Fr= 1--      5.4258               104.0967                 9.9575
  Dep-P Fr= 1--      0.4580                 0.1755                 0.4605
  Dep-U Fr= 1--      0.6283                 0.2986                 0.6306
 Alpha2 Fr= 1--      0.0322                 1.5075                 0.0585
 Beta2  Fr= 1--      0.5681                 5.1800                 1.0465
 AlphaG Fr= 1--      0.0194                -0.0548                -0.0247
 Gamma2 Fr= 1--     -2.1939                -2.3496                 0.3989
 Delta2 Fr= 1--     -0.7842                 2.6898                 0.0511
 Raman1 Fr= 1--      21.703                416.387                 39.830
 ROA1   Fr= 1--    -235.714               -139.483                 39.934
 CID1   Fr= 1--     -10.861                 -0.335                  1.003
 Raman2 Fr= 1--       6.818                 62.160                 12.558
 ROA2   Fr= 1--     -46.381                -77.908                  9.165
 CID2   Fr= 1--      -6.803                 -1.253                  0.730
 Raman3 Fr= 1--      13.635                124.321                 25.117
 ROA3   Fr= 1--    -235.714               -139.483                 39.934
 CID3   Fr= 1--     -17.287                 -1.122                  1.590
 RC180  Fr= 1--       0.257                 -0.403                  0.261
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01   0.00     0.02  -0.06  -0.01    -0.00  -0.00  -0.00
     2   6     0.01   0.02   0.02    -0.00  -0.01  -0.00    -0.00   0.00   0.00
     3   6     0.01   0.00   0.00    -0.31   0.39   0.00    -0.00   0.00   0.00
     4   6    -0.00  -0.00  -0.00     0.26  -0.33  -0.00    -0.00  -0.00   0.00
     5   6    -0.00  -0.00  -0.01     0.05  -0.04   0.02    -0.00   0.00   0.00
     6   6     0.01  -0.01  -0.01     0.01  -0.00  -0.01     0.00  -0.00   0.00
     7   6    -0.00   0.01   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     8   6     0.00   0.03  -0.06     0.01  -0.00   0.00     0.00  -0.00   0.00
     9   1    -0.12  -0.09   0.09    -0.01   0.16   0.05     0.01  -0.00   0.01
    10   1     0.03  -0.04  -0.28     0.00  -0.01  -0.00    -0.01  -0.03   0.01
    11   1    -0.06  -0.28  -0.03    -0.01   0.01   0.00     0.01   0.00  -0.03
    12   1    -0.00   0.02   0.01     0.16   0.41   0.24    -0.00   0.00  -0.00
    13   1    -0.01   0.00  -0.01    -0.44  -0.05  -0.23     0.00   0.00   0.00
    14   1    -0.01  -0.01  -0.00    -0.17   0.07  -0.06    -0.00  -0.00  -0.00
    15   6     0.01  -0.01   0.00     0.00  -0.00  -0.00     0.01   0.02  -0.03
    16   6    -0.01   0.00  -0.02    -0.00   0.00   0.00    -0.04  -0.02   0.00
    17   1    -0.02   0.00  -0.00     0.00   0.00  -0.00    -0.02   0.02   0.00
    18   1    -0.29  -0.29   0.33     0.01   0.01   0.00    -0.02   0.00  -0.02
    19   1     0.29  -0.07   0.42    -0.01   0.02  -0.01     0.01   0.01  -0.00
    20   1    -0.02   0.19  -0.01    -0.01   0.03  -0.00     0.19   0.04   0.06
    21   1    -0.18   0.02  -0.05    -0.03   0.00  -0.01    -0.05  -0.40  -0.03
    22   1     0.03  -0.05   0.05     0.01  -0.01   0.02    -0.31   0.18   0.30
    23   1     0.16   0.15   0.02     0.00   0.00   0.00     0.04  -0.11   0.26
    24   1    -0.02  -0.16   0.06    -0.01   0.00  -0.01     0.34  -0.18  -0.33
    25   1    -0.04  -0.01   0.24     0.01  -0.00  -0.00     0.04   0.48   0.03
    26   1    -0.14  -0.00  -0.12     0.01  -0.02  -0.01     0.01   0.01  -0.01
                     58                     59                     60
                      A                      A                      A
 Frequencies --   3027.1885              3029.5247              3037.9431
 Red. masses --      1.0689                 1.0400                 1.0667
 Frc consts  --      5.7713                 5.6239                 5.8002
 IR Inten    --      4.7183                50.3511                26.3983
 RamAct Fr= 1--     32.1117               260.3295               131.9738
  Dep-P Fr= 1--      0.1875                 0.0337                 0.2610
  Dep-U Fr= 1--      0.3158                 0.0651                 0.4140
 Alpha2 Fr= 1--      0.4506                 5.3456                 1.5164
 Beta2  Fr= 1--      1.6904                 2.8255                 9.1054
 AlphaG Fr= 1--     -0.7223                -0.1364                -0.1376
 Gamma2 Fr= 1--      5.5022                -2.5857                 7.3432
 Delta2 Fr= 1--     12.5933                 2.5422                -5.4333
 Raman1 Fr= 1--     128.447               1041.318                527.895
 ROA1   Fr= 1--     931.192               -166.874                531.083
 CID1   Fr= 1--       7.250                 -0.160                  1.006
 Raman2 Fr= 1--      20.284                 33.906                109.265
 ROA2   Fr= 1--      31.305                -82.395                219.703
 CID2   Fr= 1--       1.543                 -2.430                  2.011
 Raman3 Fr= 1--      40.569                 67.812                218.529
 ROA3   Fr= 1--     931.192               -166.874                531.083
 CID3   Fr= 1--      22.953                 -2.461                  2.430
 RC180  Fr= 1--      -0.368                 -0.870                 -0.172
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.03  -0.03    -0.00  -0.00   0.00    -0.02  -0.02   0.02
     2   6    -0.01  -0.03  -0.00     0.00  -0.00  -0.00    -0.00  -0.04  -0.04
     3   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     4   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     7   6    -0.01   0.01   0.00     0.01  -0.00  -0.00    -0.03   0.02   0.00
     8   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     9   1    -0.15   0.05  -0.22     0.00  -0.00   0.00     0.02  -0.01   0.03
    10   1     0.08   0.39  -0.07     0.00   0.01  -0.00     0.11   0.56  -0.11
    11   1    -0.02  -0.02   0.10    -0.01  -0.01   0.05    -0.11  -0.08   0.55
    12   1     0.01   0.00   0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    13   1    -0.00  -0.01  -0.01    -0.00  -0.00   0.00     0.00   0.01   0.00
    14   1    -0.00  -0.00  -0.00    -0.01  -0.04  -0.03     0.00   0.01   0.01
    15   6     0.00   0.00   0.00    -0.02  -0.02   0.03     0.00   0.00  -0.00
    16   6    -0.00  -0.00   0.00    -0.03  -0.01   0.00    -0.00  -0.00  -0.00
    17   1     0.08  -0.07  -0.01    -0.06   0.05   0.01     0.32  -0.28  -0.05
    18   1    -0.02  -0.00  -0.02    -0.02  -0.00  -0.02    -0.01  -0.00  -0.01
    19   1     0.07   0.04  -0.03     0.02   0.01  -0.01    -0.03  -0.02   0.01
    20   1    -0.01  -0.00  -0.00    -0.23  -0.04  -0.08    -0.01  -0.00  -0.01
    21   1     0.00  -0.00   0.00     0.06   0.46   0.03    -0.00  -0.03  -0.00
    22   1     0.00  -0.00  -0.00     0.36  -0.21  -0.35    -0.02   0.01   0.02
    23   1     0.00  -0.01   0.02     0.04  -0.10   0.23     0.00  -0.00   0.00
    24   1     0.02  -0.01  -0.02     0.29  -0.15  -0.28     0.01  -0.00  -0.00
    25   1     0.00   0.03   0.00     0.03   0.41   0.02     0.00   0.02   0.00
    26   1    -0.44  -0.45   0.57     0.02   0.02  -0.03     0.20   0.20  -0.26
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3053.9508              3064.3009              3066.5072
 Red. masses --      1.0806                 1.0967                 1.0811
 Frc consts  --      5.9380                 6.0672                 5.9898
 IR Inten    --     83.1359                29.9896                32.1320
 RamAct Fr= 1--    198.1472                74.0173                54.7090
  Dep-P Fr= 1--      0.1655                 0.4359                 0.7239
  Dep-U Fr= 1--      0.2839                 0.6072                 0.8398
 Alpha2 Fr= 1--      2.9447                 0.4797                 0.0246
 Beta2  Fr= 1--      9.3767                 7.4904                 7.6577
 AlphaG Fr= 1--      0.3323                 0.1118                 0.0325
 Gamma2 Fr= 1--      5.3415                 9.4107               -22.7954
 Delta2 Fr= 1--      3.6077                17.4772               -12.5536
 Raman1 Fr= 1--     792.589                296.069                218.836
 ROA1   Fr= 1--     628.230               1462.694              -2590.075
 CID1   Fr= 1--       0.793                  4.940                -11.836
 Raman2 Fr= 1--     112.520                 89.885                 91.892
 ROA2   Fr= 1--      99.334                 86.039               -446.661
 CID2   Fr= 1--       0.883                  0.957                 -4.861
 Raman3 Fr= 1--     225.041                179.770                183.785
 ROA3   Fr= 1--     628.230               1462.694              -2590.075
 CID3   Fr= 1--       2.792                  8.136                -14.093
 RC180  Fr= 1--      -0.432                  0.214                  0.680
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.01    -0.03   0.01  -0.04    -0.00   0.00   0.00
     2   6    -0.00   0.02   0.02    -0.02  -0.05   0.05     0.00   0.01  -0.01
     3   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     4   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     5   6     0.00   0.00   0.00    -0.00  -0.01  -0.01    -0.01  -0.06  -0.04
     6   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     7   6    -0.06   0.05   0.01     0.01  -0.01   0.00     0.00  -0.00  -0.00
     8   6    -0.00  -0.01   0.01     0.00   0.00  -0.00    -0.01  -0.02   0.02
     9   1     0.07  -0.01   0.09     0.33  -0.09   0.44     0.01  -0.00   0.01
    10   1    -0.05  -0.25   0.05     0.11   0.55  -0.08    -0.01  -0.07   0.01
    11   1     0.06   0.05  -0.34     0.10   0.06  -0.54    -0.02  -0.01   0.11
    12   1     0.00  -0.00  -0.00    -0.01  -0.00  -0.01     0.01   0.00   0.01
    13   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.01  -0.02  -0.01
    14   1    -0.01  -0.02  -0.01     0.02   0.10   0.08     0.12   0.69   0.52
    15   6    -0.00  -0.00   0.00    -0.00  -0.01  -0.00     0.00   0.00   0.00
    16   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.01  -0.00
    17   1     0.65  -0.55  -0.10    -0.08   0.07   0.01    -0.04   0.03   0.01
    18   1    -0.10  -0.00  -0.07     0.02   0.00   0.01    -0.18  -0.01  -0.14
    19   1     0.12   0.08  -0.06    -0.04  -0.03   0.02     0.30   0.20  -0.15
    20   1    -0.01  -0.00  -0.00     0.03   0.01   0.01    -0.02  -0.00  -0.01
    21   1     0.01   0.05   0.00     0.01   0.07   0.00     0.00   0.01   0.00
    22   1     0.03  -0.02  -0.03    -0.01   0.00   0.01     0.01  -0.00  -0.01
    23   1     0.01  -0.01   0.03     0.00  -0.00   0.00     0.01  -0.01   0.03
    24   1     0.01  -0.00  -0.01     0.02  -0.01  -0.02     0.03  -0.01  -0.03
    25   1     0.01   0.06   0.00    -0.00  -0.03  -0.00    -0.00  -0.06  -0.00
    26   1    -0.04  -0.04   0.04     0.00   0.01  -0.02     0.00   0.01  -0.01
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3073.9905              3075.0121              3080.2467
 Red. masses --      1.0994                 1.0747                 1.1001
 Frc consts  --      6.1206                 5.9872                 6.1497
 IR Inten    --      1.0410                24.0052                55.3971
 RamAct Fr= 1--     32.2006               256.0769               133.3603
  Dep-P Fr= 1--      0.1421                 0.0188                 0.7344
  Dep-U Fr= 1--      0.2488                 0.0370                 0.8469
 Alpha2 Fr= 1--      0.5078                 5.4450                 0.0355
 Beta2  Fr= 1--      1.3355                 1.5787                18.8234
 AlphaG Fr= 1--      0.4325                 0.5280                 0.2274
 Gamma2 Fr= 1--      7.1241                 1.3956                 1.7287
 Delta2 Fr= 1--      2.3088                 3.5394                -1.3099
 Raman1 Fr= 1--     128.802               1024.308                533.441
 ROA1   Fr= 1--     757.799                247.242                124.035
 CID1   Fr= 1--       5.883                  0.241                  0.233
 Raman2 Fr= 1--      16.026                 18.945                225.881
 ROA2   Fr= 1--     152.509                  5.180                 51.967
 CID2   Fr= 1--       9.517                  0.273                  0.230
 Raman3 Fr= 1--      32.051                 37.889                451.762
 ROA3   Fr= 1--     757.799                247.242                124.035
 CID3   Fr= 1--      23.643                  6.525                  0.275
 RC180  Fr= 1--      -0.502                 -0.926                  0.694
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00   0.01    -0.01  -0.00  -0.01     0.00  -0.00   0.01
     2   6     0.00   0.00   0.00     0.00  -0.00  -0.01    -0.00  -0.00   0.01
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     5   6    -0.00  -0.00  -0.00     0.00   0.03   0.02    -0.00  -0.01  -0.00
     6   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     7   6    -0.00   0.00   0.00     0.01  -0.01  -0.00     0.00  -0.00  -0.00
     8   6     0.01   0.01  -0.01    -0.03  -0.03   0.04     0.00   0.00  -0.00
     9   1    -0.07   0.02  -0.09     0.09  -0.02   0.12    -0.08   0.02  -0.10
    10   1    -0.01  -0.03   0.00     0.01   0.05  -0.01     0.01   0.03  -0.00
    11   1     0.00   0.00  -0.01    -0.01  -0.01   0.08     0.01   0.01  -0.06
    12   1     0.01   0.00   0.00    -0.01  -0.00  -0.01     0.00   0.00   0.00
    13   1    -0.00  -0.01  -0.00     0.01   0.02   0.01    -0.00  -0.01  -0.00
    14   1     0.01   0.04   0.03    -0.06  -0.34  -0.26     0.01   0.06   0.05
    15   6     0.02  -0.06  -0.03     0.01  -0.02  -0.01     0.02  -0.05  -0.02
    16   6    -0.02   0.05   0.03    -0.00   0.01  -0.00     0.02  -0.06  -0.03
    17   1     0.05  -0.05  -0.01    -0.11   0.09   0.02    -0.01   0.01   0.00
    18   1     0.06   0.00   0.05    -0.25  -0.01  -0.19    -0.00   0.00  -0.00
    19   1    -0.15  -0.10   0.07     0.58   0.40  -0.29    -0.02  -0.01   0.01
    20   1    -0.01  -0.02  -0.01     0.00  -0.00  -0.00    -0.00  -0.01  -0.01
    21   1     0.08   0.53   0.03     0.02   0.14   0.01     0.07   0.49   0.02
    22   1    -0.31   0.16   0.29    -0.12   0.06   0.11    -0.28   0.15   0.27
    23   1    -0.01   0.03  -0.02     0.01  -0.02   0.05     0.01  -0.03   0.03
    24   1     0.32  -0.16  -0.30     0.01  -0.00  -0.01    -0.35   0.17   0.33
    25   1    -0.05  -0.45  -0.02    -0.01  -0.13  -0.01     0.06   0.53   0.02
    26   1     0.00   0.00  -0.00     0.02   0.03  -0.04     0.03   0.02  -0.03
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3082.0770              3106.8518              3124.0599
 Red. masses --      1.0982                 1.0993                 1.0949
 Frc consts  --      6.1464                 6.2516                 6.2962
 IR Inten    --     40.9448                30.7331                20.9817
 RamAct Fr= 1--     95.2239                27.8164                44.5838
  Dep-P Fr= 1--      0.7256                 0.6875                 0.5320
  Dep-U Fr= 1--      0.8410                 0.8148                 0.6945
 Alpha2 Fr= 1--      0.0399                 0.0305                 0.1879
 Beta2  Fr= 1--     13.3469                 3.7776                 5.1609
 AlphaG Fr= 1--      0.2674                 0.0288                 0.0278
 Gamma2 Fr= 1--    -13.5254                 5.8118                -6.4627
 Delta2 Fr= 1--    -24.2220                 6.4211                -0.7026
 Raman1 Fr= 1--     380.896                111.266                178.335
 ROA1   Fr= 1--   -2073.539                763.412               -642.905
 CID1   Fr= 1--      -5.444                  6.861                 -3.605
 Raman2 Fr= 1--     160.163                 45.331                 61.930
 ROA2   Fr= 1--    -130.833                 88.115               -149.484
 CID2   Fr= 1--      -0.817                  1.944                 -2.414
 Raman3 Fr= 1--     320.325                 90.661                123.861
 ROA3   Fr= 1--   -2073.539                763.412               -642.905
 CID3   Fr= 1--      -6.473                  8.420                 -5.191
 RC180  Fr= 1--       0.682                  0.630                  0.389
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02  -0.07    -0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6     0.01   0.03  -0.04     0.00   0.00  -0.00     0.00   0.00  -0.01
     3   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     5   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     8   6     0.00   0.01  -0.01     0.03   0.01   0.01     0.00   0.00   0.00
     9   1     0.44  -0.11   0.58     0.01  -0.00   0.02     0.00  -0.00   0.00
    10   1    -0.06  -0.27   0.04    -0.00  -0.01   0.00    -0.00  -0.02   0.00
    11   1    -0.08  -0.05   0.44    -0.00  -0.00   0.02    -0.01  -0.01   0.06
    12   1    -0.02  -0.00  -0.01    -0.00  -0.00  -0.00     0.01   0.00   0.00
    13   1     0.00   0.01   0.01     0.00   0.00   0.00    -0.00  -0.01  -0.00
    14   1     0.00   0.01   0.00    -0.00  -0.01  -0.01    -0.00   0.00   0.00
    15   6     0.01  -0.01  -0.00    -0.00   0.00  -0.00    -0.08  -0.02  -0.02
    16   6     0.00  -0.01   0.00     0.00   0.04  -0.07     0.00  -0.00   0.00
    17   1     0.01  -0.01  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    18   1     0.08   0.00   0.06    -0.18  -0.00  -0.15    -0.03  -0.00  -0.03
    19   1    -0.11  -0.07   0.05    -0.16  -0.11   0.09    -0.00  -0.00   0.00
    20   1    -0.03  -0.01  -0.01     0.03   0.00   0.01     0.87   0.16   0.34
    21   1     0.02   0.09   0.00    -0.00  -0.01   0.00     0.01   0.20   0.01
    22   1    -0.07   0.04   0.07     0.00  -0.00  -0.00     0.13  -0.09  -0.15
    23   1    -0.01   0.01  -0.04     0.17  -0.34   0.79    -0.01   0.01  -0.03
    24   1    -0.03   0.01   0.03    -0.16   0.09   0.13     0.01  -0.01  -0.01
    25   1     0.01   0.07   0.00    -0.02  -0.27  -0.03     0.00   0.01   0.00
    26   1    -0.18  -0.17   0.20    -0.01  -0.01   0.02    -0.01  -0.01   0.01
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3130.9059              3132.5168              3208.6358
 Red. masses --      1.0594                 1.0991                 1.1156
 Frc consts  --      6.1187                 6.3542                 6.7668
 IR Inten    --     13.5339                35.1908                14.7400
 RamAct Fr= 1--    126.1685               134.6890                87.7684
  Dep-P Fr= 1--      0.0877                 0.3927                 0.7497
  Dep-U Fr= 1--      0.1613                 0.5640                 0.8569
 Alpha2 Fr= 1--      2.2762                 1.0238                 0.0005
 Beta2  Fr= 1--      3.3910                12.6597                12.5353
 AlphaG Fr= 1--      0.0179                 0.0669                 0.0157
 Gamma2 Fr= 1--      6.8046                -8.8641                 2.0133
 Delta2 Fr= 1--      2.6553                -7.0886                 4.4622
 Raman1 Fr= 1--     504.674                538.756                351.073
 ROA1   Fr= 1--     738.207              -1077.784                336.071
 CID1   Fr= 1--       1.463                 -2.001                  0.957
 Raman2 Fr= 1--      40.692                151.916                150.424
 ROA2   Fr= 1--     142.067               -156.029                 12.623
 CID2   Fr= 1--       3.491                 -1.027                  0.084
 Raman3 Fr= 1--      81.385                303.832                300.848
 ROA3   Fr= 1--     738.207              -1077.784                336.071
 CID3   Fr= 1--       9.071                 -3.547                  1.117
 RC180  Fr= 1--      -0.677                  0.128                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.01  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     4   6    -0.04   0.05  -0.00     0.00  -0.00   0.00    -0.06  -0.05  -0.05
     5   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     7   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     8   6    -0.01  -0.00  -0.00    -0.08  -0.02  -0.03    -0.00  -0.00   0.00
     9   1     0.02  -0.00   0.03    -0.01   0.00  -0.01     0.01   0.00   0.01
    10   1    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    11   1    -0.00  -0.00   0.00     0.00   0.00  -0.01     0.00   0.00  -0.00
    12   1     0.64   0.03   0.34    -0.07  -0.00  -0.03     0.60   0.01   0.31
    13   1    -0.18  -0.57  -0.32     0.02   0.06   0.03     0.17   0.62   0.34
    14   1    -0.00  -0.02  -0.02     0.01   0.05   0.03     0.00   0.01   0.01
    15   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    16   6    -0.00   0.00  -0.00    -0.00   0.01  -0.02     0.00  -0.00  -0.00
    17   1     0.00  -0.00  -0.00     0.04  -0.03  -0.01    -0.00   0.00   0.00
    18   1     0.06   0.00   0.05     0.67   0.02   0.55     0.00   0.00   0.00
    19   1     0.03   0.02  -0.02     0.26   0.19  -0.15     0.00   0.00  -0.00
    20   1    -0.01  -0.00  -0.00     0.05   0.01   0.02    -0.00  -0.00   0.00
    21   1    -0.00  -0.00  -0.00     0.00   0.01   0.00     0.00   0.00   0.00
    22   1    -0.00   0.00   0.00     0.01  -0.01  -0.01    -0.00   0.00   0.00
    23   1     0.01  -0.01   0.03     0.05  -0.11   0.26     0.00  -0.00   0.00
    24   1    -0.01   0.00   0.00    -0.04   0.02   0.03    -0.00   0.00   0.00
    25   1    -0.00  -0.01  -0.00    -0.01  -0.06  -0.01     0.00   0.00   0.00
    26   1     0.01   0.01  -0.01     0.01   0.01  -0.01    -0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  6 and mass  12.00000
 Atom    16 has atomic number  6 and mass  12.00000
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Molecular mass:   136.12520 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   944.331911390.196371562.83469
           X            0.99966   0.02350   0.01099
           Y           -0.02339   0.99967  -0.01059
           Z           -0.01124   0.01033   0.99988
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.09172     0.06230     0.05542
 Rotational constants (GHZ):           1.91113     1.29819     1.15479
 Zero-point vibrational energy     619879.3 (Joules/Mol)
                                  148.15471 (Kcal/Mol)
 Warning -- explicit consideration of  14 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    153.82   239.68   274.86   303.57   332.68
          (Kelvin)            428.44   516.70   554.20   567.20   604.34
                              656.32   691.04   768.41   886.30   934.66
                             1056.77  1118.88  1150.33  1199.73  1243.57
                             1284.47  1308.85  1322.86  1354.07  1376.84
                             1396.23  1428.03  1456.48  1486.20  1534.58
                             1554.54  1587.02  1629.07  1685.62  1747.80
                             1763.37  1772.08  1791.24  1819.60  1854.42
                             1860.89  1895.74  1909.30  1942.24  1976.69
                             2022.22  2048.38  2096.03  2127.04  2136.81
                             2139.47  2161.93  2165.66  2180.44  2191.93
                             2462.21  4350.53  4355.45  4358.81  4370.92
                             4393.95  4408.85  4412.02  4422.79  4424.26
                             4431.79  4434.42  4470.07  4494.83  4504.68
                             4506.99  4616.51
 
 Zero-point correction=                           0.236100 (Hartree/Particle)
 Thermal correction to Energy=                    0.245687
 Thermal correction to Enthalpy=                  0.246631
 Thermal correction to Gibbs Free Energy=         0.202543
 Sum of electronic and zero-point Energies=           -390.609186
 Sum of electronic and thermal Energies=              -390.599599
 Sum of electronic and thermal Enthalpies=            -390.598655
 Sum of electronic and thermal Free Energies=         -390.642743
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  154.171             39.692             92.792
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.637
 Rotational               0.889              2.981             29.108
 Vibrational            152.394             33.730             23.047
 Vibration     1          0.606              1.944              3.324
 Vibration     2          0.624              1.884              2.474
 Vibration     3          0.634              1.852              2.218
 Vibration     4          0.643              1.824              2.035
 Vibration     5          0.653              1.793              1.869
 Vibration     6          0.691              1.678              1.429
 Vibration     7          0.734              1.556              1.126
 Vibration     8          0.754              1.502              1.019
 Vibration     9          0.761              1.483              0.984
 Vibration    10          0.783              1.427              0.892
 Vibration    11          0.814              1.347              0.777
 Vibration    12          0.837              1.294              0.709
 Vibration    13          0.889              1.175              0.578
 Vibration    14          0.976              0.998              0.423
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.686932D-93        -93.163087       -214.515934
 Total V=0       0.272318D+16         15.435076         35.540576
 Vib (Bot)       0.214610-106       -106.668351       -245.612954
 Vib (Bot)    1  0.191691D+01          0.282602          0.650715
 Vib (Bot)    2  0.121108D+01          0.083172          0.191510
 Vib (Bot)    3  0.104727D+01          0.020059          0.046187
 Vib (Bot)    4  0.940963D+00         -0.026427         -0.060851
 Vib (Bot)    5  0.851348D+00         -0.069893         -0.160934
 Vib (Bot)    6  0.639440D+00         -0.194200         -0.447163
 Vib (Bot)    7  0.510674D+00         -0.291857         -0.672024
 Vib (Bot)    8  0.467690D+00         -0.330042         -0.759950
 Vib (Bot)    9  0.454024D+00         -0.342921         -0.789605
 Vib (Bot)   10  0.418024D+00         -0.378799         -0.872216
 Vib (Bot)   11  0.374048D+00         -0.427073         -0.983372
 Vib (Bot)   12  0.348128D+00         -0.458261         -1.055184
 Vib (Bot)   13  0.298314D+00         -0.525326         -1.209608
 Vib (Bot)   14  0.238398D+00         -0.622697         -1.433813
 Vib (V=0)       0.850770D+02          1.929812          4.443556
 Vib (V=0)    1  0.248105D+01          0.394635          0.908681
 Vib (V=0)    2  0.181023D+01          0.257734          0.593455
 Vib (V=0)    3  0.166051D+01          0.220241          0.507123
 Vib (V=0)    4  0.156556D+01          0.194669          0.448242
 Vib (V=0)    5  0.148732D+01          0.172403          0.396973
 Vib (V=0)    6  0.131172D+01          0.117840          0.271336
 Vib (V=0)    7  0.121469D+01          0.084467          0.194492
 Vib (V=0)    8  0.118464D+01          0.073587          0.169440
 Vib (V=0)    9  0.117538D+01          0.070178          0.161591
 Vib (V=0)   10  0.115172D+01          0.061348          0.141260
 Vib (V=0)   11  0.112443D+01          0.050932          0.117275
 Vib (V=0)   12  0.110926D+01          0.045032          0.103690
 Vib (V=0)   13  0.108223D+01          0.034319          0.079023
 Vib (V=0)   14  0.105393D+01          0.022810          0.052522
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.624254D+08          7.795362         17.949484
 Rotational      0.512746D+06          5.709903         13.147536
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000025159    0.000017921   -0.000012380
      2        6          -0.000023889   -0.000003420    0.000008741
      3        6          -0.000037515   -0.000049987    0.000003120
      4        6          -0.000004542    0.000002315   -0.000002472
      5        6           0.000012908   -0.000005662   -0.000013853
      6        6          -0.000024859   -0.000004144    0.000036309
      7        6           0.000031491   -0.000012247    0.000008470
      8        6          -0.000013169    0.000046462    0.000004426
      9        1           0.000002231    0.000002004    0.000003128
     10        1          -0.000000709   -0.000001605   -0.000001808
     11        1          -0.000000548    0.000006995   -0.000004807
     12        1           0.000000252    0.000000639   -0.000000238
     13        1           0.000003325   -0.000001877   -0.000000345
     14        1           0.000001029   -0.000001614   -0.000001692
     15        6          -0.000009989    0.000001984   -0.000007870
     16        6           0.000018141    0.000005119    0.000012653
     17        1           0.000002319    0.000002369    0.000000515
     18        1           0.000004113   -0.000005354   -0.000003459
     19        1           0.000003146    0.000000172    0.000000214
     20        1           0.000015423    0.000002963   -0.000003497
     21        1           0.000002986    0.000000913   -0.000006207
     22        1           0.000001583   -0.000001355   -0.000000782
     23        1           0.000005142   -0.000005839   -0.000003317
     24        1          -0.000004325    0.000001776   -0.000003870
     25        1          -0.000004694    0.000001216   -0.000004207
     26        1          -0.000005010    0.000000254   -0.000006772
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000049987 RMS     0.000012927
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.127228D+03 -0.753631D+01  0.114252D+00
      2  -0.753631D+01  0.119222D+03  0.107448D+01
      3   0.114252D+00  0.107448D+01  0.103999D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.390944D+01 -0.300531D+01  0.189887D+01
      2   0.706434D+01  0.214617D+01 -0.709729D+01
      3   0.109921D+02 -0.931381D+01 -0.603657D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1   0.123719D+02 -0.306266D+02  0.501971D+01
      2   0.197879D+02 -0.787074D+01 -0.964743D+01
      3  -0.321597D+02  0.384974D+02  0.462772D+01
      4  -0.714756D+02  0.567530D+02  0.123380D+02
      5   0.677720D+01  0.181207D+02 -0.219896D+02
      6   0.915320D+01 -0.456557D+01  0.967249D+00
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.163939D+01 -0.215538D+01 -0.173893D+01 -0.121273D+01  0.135821D+01
      2  -0.215538D+01 -0.151684D+01  0.118006D+01  0.135821D+01 -0.371094D+01
      3  -0.173893D+01  0.118006D+01 -0.274605D+01  0.184631D+01  0.117423D+01
                 6             7             8             9            10 
      1   0.184631D+01 -0.293756D+01  0.211712D+01 -0.336481D+01 -0.447098D-01
      2   0.117423D+01  0.211712D+01  0.245930D+01 -0.109830D+01  0.241789D+01
      3  -0.797946D-02 -0.336481D+01 -0.109830D+01 -0.656245D+00  0.183166D+01
                11            12            13            14            15 
      1   0.241789D+01  0.183166D+01  0.201918D+01 -0.314590D+01 -0.193665D+00
      2  -0.330450D+01 -0.557771D-01 -0.314590D+01 -0.671682D+01  0.657446D+00
      3  -0.557771D-01  0.194872D+01 -0.193665D+00  0.657446D+00  0.852015D+00
                16            17            18            19            20 
      1   0.222434D+01  0.165920D+00  0.202310D+01 -0.123513D+02  0.907296D+01
      2   0.165920D+00  0.137849D+01 -0.132578D+00  0.907296D+01 -0.769769D+01
      3   0.202310D+01 -0.132578D+00 -0.561905D+01  0.316013D+01 -0.523435D+00
                21            22            23            24            25 
      1   0.316013D+01  0.867188D+01 -0.773154D+01 -0.164763D+01  0.169658D+00
      2  -0.523435D+00 -0.773154D+01  0.103365D+02 -0.208597D+01  0.362881D+00
      3  -0.169595D+01 -0.164763D+01 -0.208597D+01  0.256987D+01 -0.829780D+00
                26            27            28            29            30 
      1   0.362881D+00 -0.829780D+00  0.671581D+01 -0.643785D+01 -0.547670D+01
      2  -0.191838D+01  0.105016D+01 -0.643785D+01  0.741389D+01  0.228702D+01
      3   0.105016D+01 -0.150579D+00 -0.547670D+01  0.228702D+01  0.256001D+01
                31            32            33            34            35 
      1  -0.908547D+01  0.813759D+01  0.797872D+00 -0.615116D+01  0.121143D+01
      2   0.813759D+01 -0.843324D+01  0.376827D+01  0.121143D+01  0.481467D+01
      3   0.797872D+00  0.376827D+01 -0.249713D+01  0.337561D+01 -0.310880D+01
                36            37            38            39            40 
      1   0.337561D+01  0.112110D+02 -0.556117D+01 -0.402648D+01 -0.196237D+01
      2  -0.310880D+01 -0.556117D+01  0.351172D+01 -0.269154D+00  0.269510D+01
      3  -0.854011D+00 -0.402648D+01 -0.269154D+00  0.231922D+01 -0.968892D+00
                41            42            43            44            45 
      1   0.269510D+01 -0.968892D+00 -0.657100D+01  0.100134D+00  0.316997D+01
      2   0.509037D+00  0.513203D+01  0.100134D+00  0.515402D+01  0.747616D+00
      3   0.513203D+01  0.904931D+00  0.316997D+01  0.747616D+00 -0.989930D+00
                46            47            48            49            50 
      1  -0.375574D+01  0.298375D+01  0.577982D+01  0.406854D+01 -0.440950D+01
      2   0.298375D+01 -0.237692D+01  0.126999D-01 -0.440950D+01 -0.690452D+01
      3   0.577982D+01  0.126999D-01 -0.229296D+01 -0.324733D+00 -0.156030D+00
                51            52            53            54            55 
      1  -0.324733D+00  0.104557D+02 -0.168430D+01 -0.273981D+01  0.147497D+01
      2  -0.156030D+00 -0.168430D+01  0.576754D+00  0.224507D+01 -0.303796D+01
      3   0.188781D+01 -0.273981D+01  0.224507D+01 -0.732582D+00 -0.245173D+01
                56            57            58            59            60 
      1  -0.303796D+01 -0.245173D+01 -0.323459D+01  0.570340D+01  0.776190D-01
      2   0.538362D+01 -0.201791D+00  0.570340D+01  0.380975D+01 -0.215369D+01
      3  -0.201791D+00 -0.138503D+01  0.776190D-01 -0.215369D+01  0.120620D+01
                61            62            63            64            65 
      1  -0.247586D+01 -0.615921D+00 -0.158470D+01  0.112951D+00 -0.777246D+00
      2  -0.615921D+00 -0.279264D+01  0.568945D+00 -0.777246D+00 -0.373820D+01
      3  -0.158470D+01  0.568945D+00  0.464211D+01  0.383437D+01  0.239381D+01
                66            67            68            69            70 
      1   0.383437D+01  0.590562D+00 -0.393723D+01  0.297202D+01  0.366562D+01
      2   0.239381D+01 -0.393723D+01  0.390509D+01 -0.145681D+01  0.166010D+01
      3   0.184733D+01  0.297202D+01 -0.145681D+01 -0.248042D+01  0.152451D+01
                71            72            73            74            75 
      1   0.166010D+01  0.152451D+01  0.453192D+01  0.594660D+00  0.267760D+01
      2  -0.311538D+00 -0.197663D+01  0.594660D+00  0.116704D+01  0.378277D+00
      3  -0.197663D+01 -0.150801D+01  0.267760D+01  0.378277D+00  0.243855D+01
                76            77            78            79            80 
      1  -0.547610D+00  0.769744D+00 -0.484949D+00  0.355668D+01  0.185361D+00
      2   0.769744D+00 -0.495081D-01  0.623849D+00  0.185361D+00  0.629565D+00
      3  -0.484949D+00  0.623849D+00 -0.265094D+00  0.315922D+01  0.754518D+00
                81            82            83            84            85 
      1   0.315922D+01  0.928900D+00  0.151989D+01 -0.132167D+00  0.145507D+01
      2   0.754518D+00  0.151989D+01  0.177175D+01  0.172431D+00  0.201199D+01
      3   0.429358D+01 -0.132167D+00  0.172431D+00 -0.823279D-01  0.256381D+00
                86            87            88            89            90 
      1   0.201199D+01  0.256381D+00 -0.655104D+00 -0.194558D+00 -0.193878D-01
      2   0.120148D+02  0.741675D+00 -0.194558D+00 -0.113208D+01  0.127446D+01
      3   0.741675D+00  0.980860D+00 -0.193878D-01  0.127446D+01  0.471146D+00
                91            92            93            94            95 
      1  -0.818238D+00 -0.133036D+00  0.100694D+01 -0.417003D+00  0.259376D-01
      2  -0.133036D+00  0.515767D-01 -0.260341D+00  0.259376D-01  0.831924D+00
      3   0.100694D+01 -0.260341D+00 -0.119992D+01  0.330737D-01  0.105520D+01
                96            97            98            99           100 
      1   0.330737D-01  0.125451D+01 -0.477189D-01 -0.968798D+00  0.922993D+01
      2   0.105520D+01 -0.477189D-01  0.149954D+01  0.173168D+01 -0.233038D+01
      3  -0.753954D-01 -0.968798D+00  0.173168D+01  0.865029D+01  0.279185D+01
               101           102           103           104           105 
      1  -0.233038D+01  0.279185D+01 -0.733639D+00  0.167493D+01  0.409734D+00
      2   0.173723D+01 -0.838834D+00  0.167493D+01 -0.166703D+01 -0.207043D+00
      3  -0.838834D+00  0.150718D+01  0.409734D+00 -0.207043D+00  0.465171D-01
               106           107           108           109           110 
      1   0.484952D+01 -0.731513D+00  0.141573D+01  0.965054D+00 -0.125788D+01
      2  -0.731513D+00 -0.773874D-01 -0.716093D-01 -0.125788D+01 -0.821043D+00
      3   0.141573D+01 -0.716093D-01  0.121499D+01  0.159493D+00 -0.100740D+01
               111           112           113           114           115 
      1   0.159493D+00 -0.147789D+01  0.134204D+01  0.462432D+00  0.706297D-01
      2  -0.100740D+01  0.134204D+01 -0.822481D+01 -0.300195D+01 -0.100164D+00
      3  -0.619993D+00  0.462432D+00 -0.300195D+01 -0.188335D+01 -0.206251D+00
               116           117           118           119           120 
      1  -0.100164D+00 -0.206251D+00 -0.445344D+00 -0.110681D+01 -0.525736D+00
      2  -0.392063D+01 -0.159992D+01 -0.110681D+01 -0.727299D+00 -0.354019D+00
      3  -0.159992D+01 -0.140004D+01 -0.525736D+00 -0.354019D+00 -0.650317D+00
               121           122           123           124           125 
      1  -0.162112D+01 -0.519836D+00 -0.417216D+00  0.548862D-02 -0.421549D+00
      2  -0.519836D+00 -0.525993D+01 -0.326379D+01 -0.421549D+00 -0.256085D+01
      3  -0.417216D+00 -0.326379D+01 -0.279087D+01 -0.568180D+00 -0.264895D+01
               126           127           128           129           130 
      1  -0.568180D+00 -0.246206D+01 -0.158142D+01 -0.444212D+01 -0.176598D+01
      2  -0.264895D+01 -0.158142D+01  0.126133D+01  0.249042D+00  0.197319D+01
      3  -0.369212D+01 -0.444212D+01  0.249042D+00  0.221686D+01  0.582736D+00
               131           132           133           134           135 
      1   0.197319D+01  0.582736D+00 -0.470648D+01  0.472798D+00  0.216401D+01
      2   0.660197D+01 -0.697174D+00  0.472798D+00  0.101346D+00 -0.253840D+01
      3  -0.697174D+00 -0.281498D+01  0.216401D+01 -0.253840D+01 -0.101169D+00
               136           137           138           139           140 
      1  -0.355895D+00 -0.233300D+01 -0.408390D+01 -0.331938D+01  0.292361D+01
      2  -0.233300D+01  0.128815D+01  0.203155D-01  0.292361D+01  0.639785D+01
      3  -0.408390D+01  0.203155D-01  0.222941D+01  0.249924D+00  0.850145D+00
               141           142           143           144           145 
      1   0.249924D+00 -0.543979D+01  0.732077D+00  0.310051D+01 -0.602194D+01
      2   0.850145D+00  0.732077D+00  0.439416D+00 -0.255127D+01  0.409814D+01
      3  -0.275206D+01  0.310051D+01 -0.255127D+01  0.273852D+01  0.951319D+00
               146           147           148           149           150 
      1   0.409814D+01  0.951319D+00  0.327279D+01 -0.379172D+01 -0.207854D+00
      2  -0.426254D+01 -0.487096D+00 -0.379172D+01  0.536610D+01  0.913589D+00
      3  -0.487096D+00 -0.768897D+00 -0.207854D+00  0.913589D+00  0.756505D+00
               151           152           153           154           155 
      1   0.104996D+01 -0.368709D+00 -0.989560D+00 -0.448235D+01  0.797400D+00
      2  -0.368709D+00  0.107208D+01  0.128851D+01  0.797400D+00 -0.943728D+00
      3  -0.989560D+00  0.128851D+01  0.357629D+00 -0.317473D+01  0.537852D+00
               156           157           158           159           160 
      1  -0.317473D+01 -0.938460D-01 -0.565898D+00  0.521849D-01 -0.282679D+01
      2   0.537852D+00 -0.565898D+00  0.734146D-01 -0.840213D+00  0.499686D+00
      3  -0.369249D+01  0.521849D-01 -0.840213D+00  0.496644D+00 -0.327905D+01
               161           162           163           164           165 
      1   0.499686D+00 -0.327905D+01  0.305539D+01  0.192111D+01 -0.242481D+01
      2  -0.980363D+00  0.113736D+01  0.192111D+01  0.264658D+01 -0.194927D+01
      3   0.113736D+01 -0.549360D+01 -0.242481D+01 -0.194927D+01  0.276907D+01
               166           167           168           169           170 
      1   0.118625D+01  0.193110D+01 -0.119800D+01 -0.132883D+01 -0.108264D+01
      2   0.193110D+01  0.296767D+01 -0.205232D+01 -0.108264D+01 -0.148005D+01
      3  -0.119800D+01 -0.205232D+01  0.231665D+01  0.138973D+01  0.217438D+01
               171           172           173           174           175 
      1   0.138973D+01  0.517084D+01  0.599441D+00  0.175975D+01  0.751482D+00
      2   0.217438D+01  0.599441D+00  0.879448D+00 -0.269614D+00  0.549531D+00
      3  -0.343851D+01  0.175975D+01 -0.269614D+00  0.243767D+01 -0.964499D-01
               176           177           178           179           180 
      1   0.549531D+00 -0.964499D-01  0.164940D+01 -0.468778D-02  0.149476D+01
      2  -0.397814D+00  0.474812D+00 -0.468778D-02  0.341444D+00  0.234672D+00
      3   0.474812D+00  0.557447D+00  0.149476D+01  0.234672D+00  0.217301D+01
               181           182           183           184           185 
      1  -0.462986D+00 -0.102349D+01  0.725517D+00 -0.135660D+01 -0.172199D+01
      2  -0.102349D+01 -0.907453D+00  0.153065D+00 -0.172199D+01 -0.866536D+01
      3   0.725517D+00  0.153065D+00 -0.619206D+00  0.382349D+00  0.206518D+01
               186           187           188           189           190 
      1   0.382349D+00  0.258798D+00 -0.567532D-01 -0.478524D+00 -0.380162D+01
      2   0.206518D+01 -0.567532D-01  0.130885D+00 -0.875040D+00  0.563820D+00
      3  -0.170970D+01 -0.478524D+00 -0.875040D+00  0.328254D+00  0.343209D+01
               191           192           193           194           195 
      1   0.563820D+00  0.343209D+01  0.140125D+01 -0.100495D+01 -0.104424D+01
      2  -0.110182D+01 -0.193355D+00 -0.100495D+01  0.265028D+00  0.106493D+01
      3  -0.193355D+00 -0.394195D+01 -0.104424D+01  0.106493D+01  0.216815D+01
               196           197           198           199           200 
      1   0.265541D+01 -0.277131D+00 -0.320001D+01 -0.135765D+01  0.852261D+00
      2  -0.277131D+00  0.709906D+00  0.814071D+00  0.852261D+00 -0.347426D+00
      3  -0.320001D+01  0.814071D+00  0.570698D+01 -0.138285D+01  0.325995D+00
               201           202           203           204           205 
      1  -0.138285D+01  0.164778D+01 -0.680477D+00  0.515148D+00 -0.250371D+01
      2   0.325995D+00 -0.680477D+00  0.459611D+00 -0.122972D+01  0.714594D-01
      3  -0.169703D+01  0.515148D+00 -0.122972D+01  0.162257D+01 -0.263788D+01
               206           207           208           209           210 
      1   0.714594D-01 -0.263788D+01 -0.723923D+01  0.109417D+01  0.271678D+01
      2  -0.129840D+01  0.133957D+01  0.109417D+01 -0.952413D+00 -0.425020D+00
      3   0.133957D+01 -0.575187D+01  0.271678D+01 -0.425020D+00 -0.179428D+01
               211           212           213           214           215 
      1   0.288449D+01 -0.165979D+01 -0.746457D+00  0.524514D+01 -0.505022D+00
      2  -0.165979D+01  0.365901D+00  0.609644D+00 -0.505022D+00  0.893439D+00
      3  -0.746457D+00  0.609644D+00  0.105645D+01 -0.274266D+01  0.771305D+00
               216           217           218           219           220 
      1  -0.274266D+01 -0.115673D+01 -0.121880D+01  0.218206D+00 -0.300412D+01
      2   0.771305D+00 -0.121880D+01 -0.975707D+00 -0.118145D+00 -0.347328D+01
      3   0.235392D+01  0.218206D+00 -0.118145D+00 -0.214798D+00 -0.476564D+00
               221           222           223           224           225 
      1  -0.347328D+01 -0.476564D+00  0.395732D+00 -0.273647D+00 -0.866640D+00
      2  -0.818979D+01 -0.723666D+00 -0.273647D+00 -0.494404D+00 -0.860807D+00
      3  -0.723666D+00 -0.976699D+00 -0.866640D+00 -0.860807D+00 -0.489529D+00
               226           227           228           229           230 
      1   0.299838D+01  0.243892D+01 -0.118536D+01  0.188308D+01  0.154574D+01
      2   0.243892D+01  0.256125D+01 -0.757315D+00  0.154574D+01  0.431518D+01
      3  -0.118536D+01 -0.757315D+00  0.112717D+01 -0.831134D+00 -0.126262D+01
               231           232           233           234 
      1  -0.831134D+00 -0.191034D+01 -0.121466D+01  0.165891D+01
      2  -0.126262D+01 -0.121466D+01 -0.323412D+01  0.132999D+01
      3   0.831055D+00  0.165891D+01  0.132999D+01 -0.205318D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.173423D+01 -0.143694D+01  0.340970D+01  0.529598D+00 -0.262223D+01
      2  -0.655837D+01  0.761838D+01 -0.427484D+01  0.609029D+01  0.491117D+01
      3   0.847433D+01 -0.838800D+01 -0.744089D+01 -0.216206D+01  0.553423D+01
                 6             7             8             9            10 
      1  -0.129298D+01  0.350129D+01  0.919626D+01  0.192497D+01 -0.197933D+01
      2  -0.353331D+00 -0.996927D+01 -0.593934D+01 -0.261307D+00  0.217958D+01
      3  -0.147335D+01 -0.999653D+01 -0.289612D+01 -0.277845D+01 -0.856324D+00
                11            12            13            14            15 
      1  -0.323024D+01 -0.424627D+01 -0.283670D+01 -0.109663D+02 -0.405700D+01
      2  -0.244245D+01  0.514199D+00 -0.336752D+01  0.221653D+01  0.615891D+00
      3   0.702005D+01  0.511168D+01  0.119495D+02 -0.484987D+01 -0.328555D+00
                16            17            18            19            20 
      1  -0.533816D+01  0.540018D+01  0.149698D+02 -0.223218D+01  0.204636D+01
      2  -0.506710D+01  0.711976D+00 -0.520591D+01  0.193770D+01  0.607840D+01
      3   0.636667D+01  0.422374D+00  0.348488D+01  0.314739D+01 -0.189996D+01
                21            22            23            24            25 
      1  -0.552694D+01 -0.134198D+01 -0.904797D+01  0.649660D+01 -0.806833D+01
      2  -0.408715D+01  0.259759D+01 -0.675831D+01  0.748685D+01 -0.129804D+02
      3  -0.434580D+01  0.111588D+02 -0.164567D+02  0.726004D+01  0.892170D+00
                26            27            28            29            30 
      1   0.132426D+02  0.189881D+01 -0.796283D+01 -0.336339D+00  0.501279D+01
      2   0.752802D+01 -0.259561D+01 -0.762661D+01  0.368981D+01  0.662419D+01
      3   0.293553D+01 -0.350868D+00  0.851630D+01 -0.135038D+02  0.382871D+01
                31            32            33            34            35 
      1  -0.338103D+01  0.108236D+02 -0.805688D+01  0.148982D+01 -0.468644D-01
      2  -0.218759D+01  0.143474D+02 -0.760728D+01 -0.146182D+01 -0.404946D+01
      3  -0.833115D-01  0.447458D+01 -0.115711D+02  0.841238D+01 -0.158884D+02
                36            37            38            39            40 
      1   0.295183D+01 -0.126186D+01 -0.157656D+01  0.238607D+01 -0.454366D+01
      2  -0.207390D+01  0.100251D+02 -0.663220D+01 -0.185880D+01 -0.283375D+01
      3   0.205245D+01 -0.198873D+01 -0.130569D+01  0.153502D+01  0.836746D+01
                41            42            43            44            45 
      1   0.775587D+01 -0.965974D+01  0.694004D+01 -0.407659D+01 -0.210799D+01
      2   0.361406D+01 -0.166048D+01 -0.152547D+02  0.425393D+01  0.410592D+01
      3  -0.430565D+01 -0.184274D+01  0.335192D+01  0.655757D+00 -0.250825D+01
                46            47            48            49            50 
      1   0.391046D+01 -0.580539D+00 -0.178548D+01 -0.199383D+01 -0.425332D+01
      2  -0.127954D+02  0.708044D+00  0.896036D+01  0.274365D+01 -0.887391D+00
      3   0.374904D+01 -0.100289D+02 -0.168801D+01 -0.981733D+00 -0.131456D+02
                51            52            53            54            55 
      1  -0.210339D+01 -0.389254D+01  0.819352D+01  0.549354D+00  0.346515D+01
      2  -0.386882D+01  0.263609D+01 -0.677791D+01  0.343663D+01  0.237651D+01
      3  -0.930231D+00 -0.503278D+01  0.659665D+00  0.715859D+01 -0.244477D+01
                56            57            58            59            60 
      1   0.149922D+01  0.521426D+01  0.247307D+01  0.460394D+01 -0.514251D+01
      2   0.262303D+01  0.443669D+01  0.142933D+01  0.156934D+01 -0.124878D+01
      3  -0.504675D+01 -0.427096D+01  0.339169D+01  0.135376D+02 -0.189733D+01
                61            62            63            64            65 
      1   0.311647D+01  0.223389D+01 -0.111015D+02 -0.172149D+01  0.355398D+01
      2  -0.198789D+01 -0.236957D+01 -0.565735D+01 -0.168484D+01 -0.533506D+01
      3  -0.554569D+01 -0.348574D+01 -0.329934D+01  0.924092D+00 -0.710755D+01
                66            67            68            69            70 
      1  -0.979233D+01  0.657179D+01 -0.839709D+01  0.388153D+01 -0.718436D+01
      2   0.115597D+02 -0.262940D+01 -0.670658D+01  0.845314D+01  0.384851D+01
      3   0.702159D+01 -0.611406D+00 -0.134820D+01  0.295558D+01  0.499415D+01
                71            72            73            74            75 
      1   0.769357D+01  0.835048D+01 -0.302672D+01  0.666521D+00 -0.287384D+01
      2   0.636533D+01  0.649394D+01  0.270436D+01  0.111869D+01  0.581606D+01
      3   0.191897D+01  0.190977D+01  0.393433D+01 -0.343177D+01  0.258321D+01
                76            77            78            79            80 
      1   0.434312D+00 -0.196031D+00 -0.795337D-01 -0.319558D+01  0.129069D+01
      2  -0.573649D+00  0.727314D+00 -0.723425D+00  0.307391D+01  0.187270D+01
      3  -0.513518D+00  0.216965D+01 -0.146667D+01  0.450136D+01 -0.238519D+01
                81            82            83            84            85 
      1  -0.451217D+01  0.180130D+01  0.191193D+01  0.120759D+00  0.121200D+01
      2   0.895617D+01 -0.101132D+01 -0.117542D+01  0.142166D+01 -0.154069D+01
      3   0.262370D+01  0.193774D+01  0.558939D+00 -0.682341D+00  0.526213D+01
                86            87            88            89            90 
      1   0.983408D+01 -0.446194D+01  0.116824D+00 -0.243784D+01  0.300211D+00
      2  -0.144630D+01  0.771776D+00 -0.653893D-01  0.550020D+00  0.181257D+00
      3  -0.295494D+01  0.410433D+00 -0.186189D+01  0.413919D+00 -0.649980D+00
                91            92            93            94            95 
      1  -0.255517D+01 -0.361906D+00  0.268393D+01 -0.555797D+00 -0.153597D+01
      2   0.148477D+01  0.449155D+00 -0.798206D+00  0.102787D+01  0.606817D+00
      3  -0.224674D+01 -0.215526D+01  0.193556D+01 -0.679853D+00  0.742948D+00
                96            97            98            99           100 
      1   0.129199D+01  0.253334D+01  0.146074D+01 -0.180406D+02  0.698486D+01
      2  -0.412271D+00 -0.512973D+01  0.712728D+00  0.562580D+01  0.100158D+02
      3  -0.569738D+00  0.339671D+01 -0.679550D+00 -0.225532D+01 -0.108857D+02
               101           102           103           104           105 
      1  -0.108132D+01  0.337425D+01  0.248890D+00  0.324819D+00 -0.149551D+00
      2  -0.458582D+01  0.800580D+01  0.117609D+01 -0.118413D+01  0.547867D+00
      3  -0.316578D+01 -0.336155D+01 -0.196675D+01  0.966495D+00 -0.120419D+00
               106           107           108           109           110 
      1   0.332556D+01  0.709534D+00  0.197200D+01  0.198384D+01 -0.185272D+01
      2   0.241374D+01  0.199328D+01  0.527244D+01 -0.202401D+00 -0.259750D+01
      3  -0.818651D+01  0.119630D+01 -0.179720D+01  0.295846D+01  0.357007D+01
               111           112           113           114           115 
      1  -0.180491D+01  0.156442D+01 -0.266300D+01 -0.536868D+01 -0.205765D+01
      2  -0.920773D+00 -0.111477D+01 -0.695265D+01 -0.395658D+01 -0.826909D+00
      3   0.233129D+01  0.217591D+01  0.190664D+02  0.748324D+01  0.906063D+00
               116           117           118           119           120 
      1   0.109428D+01 -0.355676D+01  0.100696D+01  0.590023D+00 -0.404353D-01
      2  -0.496834D+01 -0.276680D+01 -0.413252D+00 -0.106121D+01  0.551035D+00
      3   0.114521D+02  0.410827D+01 -0.429483D-01 -0.265590D+00  0.157312D+00
               121           122           123           124           125 
      1  -0.145553D+00  0.577354D+01 -0.836360D+00 -0.511314D-01  0.304018D+01
      2  -0.291693D+01 -0.288053D+00  0.265454D+00 -0.240136D+01 -0.404857D+00
      3   0.472460D+01 -0.480696D-01  0.708434D-01  0.108563D+01 -0.211722D-01
               126           127           128           129           130 
      1  -0.816203D+00 -0.871192D+01  0.240170D+01  0.297820D+01  0.554045D+01
      2  -0.302907D+00  0.124910D+02  0.121936D+01  0.102599D+02  0.220978D+01
      3   0.138366D+00  0.203482D+01  0.970962D+00  0.657922D+01  0.607215D+01
               131           132           133           134           135 
      1   0.147216D+02 -0.879057D+01  0.319758D+01 -0.398071D+00 -0.616758D+01
      2  -0.236715D+01  0.262265D+01  0.483351D+01  0.280409D+01 -0.404040D+01
      3   0.676671D+01 -0.924336D+00  0.634561D+01  0.719172D-02 -0.561047D+01
               136           137           138           139           140 
      1  -0.205167D+01 -0.213834D+00  0.261399D+01 -0.140756D+01 -0.152012D+01
      2   0.114782D+02 -0.161136D+01 -0.776846D+01 -0.233043D+01 -0.180015D+01
      3  -0.799872D+01  0.483750D+01  0.310472D+01  0.143444D+02  0.192513D+02
               141           142           143           144           145 
      1  -0.524156D+01  0.397195D+01 -0.640063D+00  0.391972D+01 -0.165100D+01
      2   0.897102D+01 -0.180840D+02  0.850231D+01 -0.100509D+02  0.254911D-01
      3   0.332938D+01  0.351574D+01  0.261640D+01 -0.113813D+02 -0.754246D+01
               146           147           148           149           150 
      1   0.249941D+00  0.284029D+01  0.303309D+00 -0.137589D+01 -0.381554D+01
      2   0.424815D+00  0.316129D+01 -0.447231D+00 -0.504499D+00 -0.215252D+01
      3  -0.342378D+00  0.104907D+01  0.429784D+01  0.180089D+00  0.274865D+00
               151           152           153           154           155 
      1   0.202465D+01 -0.964758D+00 -0.623216D+00  0.286529D+01  0.269268D+01
      2  -0.969471D-01 -0.134719D+01 -0.519284D+00 -0.955775D+01  0.500423D+00
      3   0.175068D+01  0.899921D+00 -0.382251D+00 -0.572452D+01 -0.162446D+01
               156           157           158           159           160 
      1   0.403293D+01  0.133488D+01  0.145240D+01 -0.245390D+00  0.343087D+01
      2  -0.281353D+01 -0.352499D+00 -0.788305D+00 -0.734299D+00 -0.626463D+01
      3  -0.328142D+01  0.837603D+00 -0.235787D+00 -0.514040D+00 -0.323364D+01
               161           162           163           164           165 
      1   0.234004D+01  0.370244D+01 -0.150592D+01 -0.453853D+01 -0.448078D+00
      2  -0.177699D+00 -0.249636D+01  0.960729D+01  0.484977D+01 -0.402925D+01
      3  -0.106387D+01 -0.316692D+01  0.586905D+01  0.177189D+01 -0.337861D+01
               166           167           168           169           170 
      1  -0.253411D+01 -0.409091D+01 -0.104963D+01  0.131309D+00  0.212123D+01
      2   0.427217D+01  0.494902D+01 -0.306366D+01 -0.464377D+01 -0.314242D+01
      3   0.431368D+01  0.214697D+01 -0.213258D+01 -0.272679D+01 -0.672790D+00
               171           172           173           174           175 
      1   0.148472D+00  0.408431D+01  0.317311D+01  0.196213D+01  0.223503D+01
      2   0.331132D+01 -0.173314D+02 -0.165537D+01 -0.372503D+01 -0.194908D+01
      3   0.256273D+01 -0.708077D+01 -0.204050D+01 -0.248806D+01  0.690998D+00
               176           177           178           179           180 
      1   0.591142D+00  0.554366D+00  0.219250D+01  0.214794D+01  0.255815D+01
      2  -0.184277D+01 -0.649528D+00 -0.675789D+01 -0.684288D+00 -0.409098D+01
      3  -0.992501D+00  0.943226D-01 -0.237844D+01 -0.705908D+00 -0.155051D+01
               181           182           183           184           185 
      1  -0.125373D+01 -0.171140D+01 -0.700764D+00 -0.306959D+01 -0.161525D+02
      2  -0.600493D+00  0.131837D+01  0.504408D+00  0.259977D+01 -0.142621D+00
      3  -0.117763D+01 -0.774668D+00 -0.616912D-01  0.291480D+01 -0.875488D+01
               186           187           188           189           190 
      1  -0.114571D+01 -0.512857D+00  0.481858D+00 -0.161288D+01  0.514314D+01
      2   0.183722D+01 -0.823802D+00  0.450182D+00  0.671249D+00  0.430227D+01
      3   0.212736D+01 -0.595547D-01 -0.109371D+00 -0.207460D+00  0.379174D+01
               191           192           193           194           195 
      1  -0.384226D+01 -0.470436D+01 -0.296285D+01  0.220697D+01  0.327616D+01
      2  -0.119964D+01 -0.916850D-01 -0.227057D+01  0.282818D+00 -0.127261D+01
      3  -0.352954D+01 -0.341942D+01 -0.146201D+01  0.146032D+01  0.195998D+01
               196           197           198           199           200 
      1  -0.416359D+01  0.444930D+01  0.755051D+01 -0.172535D+01  0.737553D+00
      2  -0.459044D+01 -0.157585D+00 -0.868150D+00  0.348948D+01 -0.188604D+00
      3  -0.290677D+01  0.213969D+01  0.392570D+01  0.313247D+01 -0.202322D+01
               201           202           203           204           205 
      1  -0.108178D+01  0.449201D+00 -0.178222D+01  0.139613D+01 -0.137212D+01
      2   0.498506D+01  0.576706D+00  0.377417D+01 -0.603702D+01  0.311271D+01
      3   0.176540D+01 -0.117936D+01  0.248952D+01 -0.427827D+01  0.118462D+01
               206           207           208           209           210 
      1   0.434475D+01 -0.522568D+01  0.178336D+01 -0.767624D+00 -0.928455D+00
      2  -0.525963D+01  0.178203D+02 -0.969665D+01  0.165585D+01  0.913536D+01
      3  -0.540988D+01  0.636880D+01  0.825424D+01 -0.606663D+01 -0.305025D+01
               211           212           213           214           215 
      1  -0.185986D+00  0.789551D+00 -0.324558D+00 -0.169182D+01  0.167127D+01
      2   0.267098D+01 -0.231584D+01 -0.425694D+01  0.789146D+01 -0.290379D+01
      3  -0.470448D+01  0.240762D+01  0.216060D+01 -0.401274D+01  0.425333D+01
               216           217           218           219           220 
      1   0.982300D+00  0.597643D+00  0.317767D+00 -0.398376D+00  0.472603D+00
      2  -0.905203D+01 -0.738041D+00 -0.145096D-01  0.182159D+01  0.280398D+00
      3   0.419720D+01 -0.326277D+01 -0.351882D+01 -0.600967D+00 -0.463019D+01
               221           222           223           224           225 
      1   0.280578D+01 -0.349565D+01 -0.498297D+00  0.314776D+00 -0.326091D+00
      2   0.102519D+01  0.347103D+01  0.165683D+01  0.182927D+01  0.121853D+01
      3  -0.234664D+02 -0.173468D+01 -0.109023D+01 -0.160954D+01 -0.172642D+01
               226           227           228           229           230 
      1   0.227862D+01  0.168942D+01 -0.229728D+01  0.151690D+01  0.238213D+01
      2  -0.382879D+01 -0.321678D+01  0.461459D+01 -0.316051D+01 -0.403909D+01
      3  -0.170505D+01 -0.213344D+01  0.529582D+00  0.208588D+01 -0.840231D+01
               231           232           233           234 
      1  -0.358389D+01 -0.171268D+01 -0.323910D+01  0.284920D+01
      2   0.295465D+01  0.332645D+01  0.437478D+01 -0.718000D+01
      3   0.172572D+01  0.327856D+00  0.535642D+01 -0.865747D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.625473D+01 -0.106797D+02 -0.604443D+01 -0.465485D+01 -0.112409D+00
      2   0.552435D+01  0.684970D+01  0.875059D+01  0.216643D+01  0.194963D+01
      3   0.730383D+00  0.382999D+01 -0.270617D+01  0.248842D+01 -0.183722D+01
      4  -0.794750D+01 -0.175632D+02  0.338737D+01 -0.274976D+01 -0.208583D+02
      5  -0.897273D+01  0.117737D+01 -0.167134D+02  0.678709D+01  0.474879D+01
      6  -0.163513D+01  0.716839D+01 -0.299401D+01  0.512079D+01  0.435440D+01
                 6             7             8             9            10 
      1   0.762815D+01 -0.713454D+01  0.817844D+01 -0.135744D+02 -0.718917D+01
      2  -0.260404D+01  0.109121D+02 -0.590672D+00  0.110548D+02  0.656662D+01
      3  -0.502411D+01 -0.377757D+01 -0.758776D+01  0.251959D+01  0.622547D+00
      4   0.810411D+01  0.842083D+01  0.166080D+02 -0.116005D+02 -0.433101D-01
      5   0.147872D+01 -0.202822D+02 -0.514766D+01 -0.856741D+01  0.220632D+01
      6  -0.226848D+01 -0.597417D+01 -0.597057D+01  0.868295D+00  0.835087D+01
                11            12            13            14            15 
      1   0.100034D+02 -0.161113D+01  0.124720D+02  0.211230D+02 -0.293585D+01
      2  -0.139552D+02 -0.562634D+00 -0.149763D+02 -0.440133D+02  0.961917D+00
      3   0.395180D+01  0.217377D+01  0.250427D+01  0.228903D+02  0.197394D+01
      4  -0.934369D+00  0.248379D+01  0.136557D+01 -0.140563D+02 -0.734686D+00
      5   0.135996D+01  0.192759D+01  0.993778D+00 -0.356358D+01  0.579778D+00
      6  -0.177718D+01  0.709257D+01 -0.347880D+01 -0.373707D+01  0.382716D+01
                16            17            18            19            20 
      1  -0.204443D+01 -0.422767D+01  0.147973D+02 -0.187555D+02  0.975590D+01
      2  -0.264362D+01  0.105569D+02  0.887640D+01 -0.587260D+01  0.105411D+02
      3   0.468805D+01 -0.632925D+01 -0.236737D+02  0.246281D+02 -0.202970D+02
      4   0.258082D+01 -0.124541D+01  0.427535D+01  0.522262D+02 -0.379378D+02
      5   0.364432D+01  0.968193D+00  0.291739D+01  0.196801D+02 -0.754636D+01
      6   0.661158D+01  0.179651D+01 -0.171143D+02 -0.103939D+02  0.265955D+01
                21            22            23            24            25 
      1   0.111993D+02  0.217243D+02 -0.167349D+02 -0.925613D+01  0.147011D+00
      2  -0.672588D+01 -0.205644D+01 -0.885050D+01  0.138144D+02 -0.126932D+01
      3  -0.447342D+01 -0.196679D+02  0.255854D+02 -0.455826D+01  0.112231D+01
      4  -0.820443D+01 -0.453972D+02  0.584354D+02 -0.172636D+01 -0.397267D+01
      5  -0.790076D+01 -0.165526D+02  0.272015D+01  0.145840D+02  0.788053D+01
      6   0.908955D+01  0.592058D+01  0.181987D+01 -0.533285D+01  0.136335D+01
                26            27            28            29            30 
      1  -0.294187D+01 -0.374936D+01  0.665251D+01 -0.106762D+02 -0.216675D+02
      2   0.652201D+01 -0.864600D+01  0.506558D+01 -0.811352D+01  0.141353D+02
      3  -0.358014D+01  0.123954D+02 -0.117181D+02  0.187897D+02  0.753224D+01
      4  -0.453924D+01  0.923161D+01 -0.343155D+02  0.432596D+02  0.195058D+02
      5   0.229827D+01 -0.535471D+01 -0.397843D+02  0.164670D+02  0.165219D+02
      6   0.526927D+01 -0.138306D+01  0.203015D+02 -0.124735D+02 -0.847130D+01
                31            32            33            34            35 
      1  -0.147355D+02  0.195941D+02  0.161451D+02 -0.349034D+02  0.240059D+02
      2  -0.901099D+01  0.606221D+01 -0.207964D+02  0.230244D+02 -0.290602D+02
      3   0.237465D+02 -0.256563D+02  0.465126D+01  0.118790D+02  0.505428D+01
      4   0.499688D+02 -0.493186D+02  0.930439D+01  0.155642D+02  0.114025D+02
      5   0.745760D+01  0.100627D+02 -0.112854D+02  0.238290D+02 -0.176225D+02
      6  -0.418467D+01 -0.194271D+02  0.680574D+01 -0.137763D+02  0.137029D+02
                36            37            38            39            40 
      1   0.347388D+01  0.575568D+01 -0.567544D+01  0.267082D+01 -0.889073D+01
      2  -0.450227D+01  0.380510D+01 -0.208084D+00 -0.480203D+01 -0.807861D+00
      3   0.102838D+01 -0.956078D+01  0.588353D+01  0.213121D+01  0.969859D+01
      4  -0.168901D+02 -0.304845D+02  0.124060D+02  0.595366D+01  0.453784D+01
      5  -0.107464D+02 -0.372410D+01  0.114459D+01  0.496567D+00  0.239438D+01
      6  -0.142481D+01  0.498185D+01 -0.748293D+01 -0.400019D+01 -0.736358D+01
                41            42            43            44            45 
      1   0.225485D+02  0.654759D+01  0.119894D+02  0.347194D+01  0.441663D+01
      2  -0.457541D+01 -0.305017D+01 -0.735446D+01 -0.607074D+01 -0.297299D+00
      3  -0.179731D+02 -0.349742D+01 -0.463494D+01  0.259880D+01 -0.411934D+01
      4  -0.858816D+01 -0.125879D+01  0.120324D+02 -0.428354D+01 -0.718577D+01
      5  -0.511744D+01  0.222316D+01 -0.433646D+01  0.310334D+01 -0.137234D+01
      6  -0.247607D+01 -0.179715D+02 -0.253967D+01 -0.152335D+02 -0.934839D+00
                46            47            48            49            50 
      1  -0.138756D+02 -0.489147D+01 -0.126298D+02 -0.247329D+01  0.262902D+01
      2   0.143959D+01  0.242052D+01  0.102865D+02  0.505099D+01 -0.272565D+01
      3   0.124361D+02  0.247095D+01  0.234337D+01 -0.257770D+01  0.966302D-01
      4   0.273972D+01  0.208832D+01 -0.898393D+01 -0.810133D-02  0.185571D+02
      5  -0.123320D+02 -0.137730D+01  0.668646D+01 -0.784687D+00 -0.209158D+01
      6  -0.595105D+01  0.356098D+00  0.412288D+01  0.835844D+00 -0.704645D+01
                51            52            53            54            55 
      1  -0.607579D+01 -0.161242D+02 -0.462028D+01  0.900074D+01 -0.291908D+01
      2  -0.161440D+01  0.119963D+02  0.172139D+01 -0.592081D+01 -0.837568D+01
      3   0.769019D+01  0.412788D+01  0.289889D+01 -0.307994D+01  0.112948D+02
      4  -0.137832D+01 -0.182012D+02  0.635198D+00  0.266927D+01  0.156057D+02
      5  -0.446713D+01  0.797909D+01 -0.430397D+01  0.259342D+01  0.365557D+01
      6   0.135578D+01  0.438395D+01 -0.123898D+01  0.522423D+00 -0.551750D+01
                56            57            58            59            60 
      1  -0.339379D+00  0.332301D+01 -0.191801D+01 -0.137664D+02  0.120027D+01
      2   0.132888D+02 -0.477350D+01  0.101805D+02  0.831319D+01 -0.551955D+00
      3  -0.129494D+02  0.145049D+01 -0.826247D+01  0.545321D+01 -0.648314D+00
      4  -0.214563D+02 -0.476186D+01 -0.195755D+02  0.976204D+01  0.528399D+01
      5  -0.307575D+01 -0.816579D+00 -0.477791D+01  0.597480D+01  0.221915D+01
      6  -0.163524D+01 -0.733432D+01  0.320013D+00  0.407036D+01 -0.889343D+00
                61            62            63            64            65 
      1   0.332413D+01  0.404186D+01  0.262441D+01  0.585846D+01  0.954636D+01
      2  -0.292929D+01 -0.865759D+01  0.457722D+01  0.614359D+01 -0.590229D+01
      3  -0.394834D+00  0.461573D+01 -0.720163D+01 -0.120021D+02 -0.364407D+01
      4  -0.264965D+01  0.665530D+01 -0.346385D+01 -0.152361D+00 -0.510066D+01
      5   0.723949D+00 -0.694372D+00 -0.170150D+01 -0.488291D+01  0.704187D+01
      6  -0.621435D+01  0.238464D+01  0.103660D+02  0.117015D+02  0.141831D+02
                66            67            68            69            70 
      1  -0.306431D+01  0.136375D+02 -0.982025D+01 -0.147543D+01 -0.793435D+00
      2   0.139848D+02 -0.320189D+01  0.336034D+01 -0.593259D+01  0.118022D+02
      3  -0.109205D+02 -0.104356D+02  0.645992D+01  0.740802D+01 -0.110088D+02
      4   0.680200D+01 -0.305353D+01 -0.361918D+01  0.351021D+01  0.802206D+00
      5  -0.164902D+02  0.225840D+01  0.878971D+01 -0.884604D+01 -0.146004D+02
      6  -0.164371D+01  0.130489D+02 -0.122008D+02  0.896909D-01  0.203792D+01
                71            72            73            74            75 
      1  -0.457089D+01 -0.597696D+01  0.234925D+02  0.241966D+01  0.115833D+02
      2   0.411116D+00 -0.243524D+01 -0.180817D+02 -0.184323D+01 -0.120641D+02
      3   0.415978D+01  0.841220D+01 -0.541079D+01 -0.576426D+00  0.480848D+00
      4   0.501555D+01  0.263216D+01  0.849120D+01  0.857389D+01  0.541090D+01
      5  -0.308015D+01 -0.463420D+01  0.208287D+02  0.291669D+01  0.181720D+02
      6  -0.257532D+01  0.951087D+00  0.257871D+01  0.147450D+01  0.326143D+01
                76            77            78            79            80 
      1  -0.374275D+01  0.154328D+01 -0.244494D+01  0.131593D+02 -0.610775D+00
      2   0.380766D+01 -0.115646D+01  0.325934D+01 -0.146407D+02 -0.194205D-01
      3  -0.649049D-01 -0.386823D+00 -0.814398D+00  0.148146D+01  0.630196D+00
      4   0.602590D+01  0.849250D+00  0.283454D+01  0.616033D+01  0.344576D+01
      5  -0.267229D+01  0.412391D+01 -0.217940D+01  0.220202D+02  0.452990D+01
      6   0.208854D+01  0.595840D-01  0.385328D+01  0.374283D+01  0.470485D+01
                81            82            83            84            85 
      1   0.735118D+01 -0.656037D+00 -0.250174D+01 -0.323130D+00 -0.377028D+01
      2  -0.162581D+02  0.706035D+01  0.844093D+01  0.768864D+00  0.971867D+01
      3   0.890692D+01 -0.640431D+01 -0.593920D+01 -0.445734D+00 -0.594839D+01
      4   0.774279D+01  0.667473D+01  0.134905D+02  0.544067D+00  0.109660D+02
      5   0.260445D+02  0.145063D+01  0.228177D+01  0.181320D+01  0.196582D+01
      6   0.514314D+01  0.747495D+00  0.231468D+01  0.573611D+00  0.313912D+01
                86            87            88            89            90 
      1  -0.395264D+02 -0.315062D+01  0.232059D+00  0.222413D+01 -0.579538D+01
      2   0.734189D+02  0.295373D+01 -0.758859D+00 -0.728113D+01  0.513477D+01
      3  -0.338925D+02  0.196896D+00  0.526800D+00  0.505700D+01  0.660608D+00
      4   0.221221D+02  0.189768D+01 -0.163549D+01 -0.201596D+01  0.160921D+01
      5   0.289113D+01  0.176815D+01  0.895938D+00  0.198378D+01 -0.102731D+00
      6   0.140409D+02  0.865258D+01  0.403764D+00  0.866748D+01  0.164359D+01
                91            92            93            94            95 
      1  -0.108410D+01  0.718839D+00  0.355926D+01 -0.160591D+01 -0.600244D+01
      2  -0.368233D+01 -0.530880D-01  0.924541D-01  0.736629D+00  0.515080D+01
      3   0.476643D+01 -0.665751D+00 -0.365171D+01  0.869281D+00  0.851634D+00
      4  -0.209811D+01  0.283144D+01  0.314291D+01  0.459825D+00  0.144316D+00
      5  -0.194168D+01  0.805456D+00  0.621486D+01 -0.347517D+00  0.397048D-01
      6   0.246061D+01 -0.218831D+01 -0.447369D+01 -0.837176D+00  0.413985D+01
                96            97            98            99           100 
      1  -0.196112D+01  0.428838D+01 -0.773326D+01 -0.254299D+02  0.613723D+02
      2   0.386484D+01  0.107839D+01  0.258103D+01 -0.133738D+02 -0.285217D+02
      3  -0.190372D+01 -0.536677D+01  0.515222D+01  0.388037D+02 -0.328506D+02
      4  -0.207258D-01  0.339452D+01  0.103432D+00 -0.288921D+00 -0.316052D+02
      5  -0.366307D+00  0.508213D+01  0.658558D+00  0.208365D+01  0.168991D+02
      6   0.544784D+01 -0.285856D+01  0.117419D+02  0.290447D+02 -0.101396D+02
               101           102           103           104           105 
      1  -0.105440D+02  0.143476D+02 -0.342475D+00  0.560632D+01  0.823139D+00
      2   0.138472D+01 -0.723260D+01 -0.449847D+01  0.209153D+01 -0.323498D+00
      3   0.915929D+01 -0.711499D+01  0.484095D+01 -0.769785D+01 -0.499641D+00
      4   0.168633D+02 -0.959185D+01  0.134506D+02 -0.107533D+02 -0.253466D-01
      5  -0.567444D+01  0.109933D+02  0.272381D+01 -0.918803D+00 -0.187410D+00
      6   0.415364D+01 -0.577187D+01 -0.417874D+00  0.143068D+01  0.149802D+01
               106           107           108           109           110 
      1   0.287640D+02 -0.710768D+01  0.825030D+01  0.264563D+01 -0.102823D+02
      2  -0.160645D+02  0.393250D+01 -0.630779D+01  0.284308D+01  0.725409D+01
      3  -0.126995D+02  0.317518D+01 -0.194251D+01 -0.548871D+01  0.302819D+01
      4  -0.128355D+02  0.284695D+01 -0.379150D+01 -0.561013D+01  0.488294D+01
      5   0.952366D+01 -0.531157D+00  0.993102D+01  0.162099D+01 -0.226332D+01
      6  -0.425674D+01  0.149731D+01 -0.407913D+01  0.274802D+00  0.560284D+01
               111           112           113           114           115 
      1  -0.241342D+01 -0.321714D+01 -0.254756D+02 -0.989821D+01  0.157572D+01
      2   0.218042D+01 -0.178574D+01  0.423437D+02  0.121240D+02 -0.271941D+01
      3   0.233003D+00  0.500288D+01 -0.168681D+02 -0.222579D+01  0.114370D+01
      4  -0.212880D+01  0.122634D+02 -0.306170D+02 -0.112537D+02  0.159093D+00
      5  -0.112135D+01  0.381254D+01 -0.134069D+02 -0.853948D+01  0.187232D+00
      6   0.328739D+01 -0.371419D+01  0.213706D+02  0.129342D+02  0.297710D+00
               116           117           118           119           120 
      1  -0.154965D+02 -0.909080D+01 -0.283585D+00 -0.132881D+01 -0.146953D+01
      2   0.194273D+02  0.736817D+01  0.322792D+00  0.482342D+00  0.171820D+00
      3  -0.393082D+01  0.172263D+01 -0.392069D-01  0.846465D+00  0.129771D+01
      4  -0.114937D+02 -0.449017D+01  0.213942D+01  0.685974D+01  0.318691D+01
      5  -0.594003D+01 -0.476112D+01  0.817744D+00  0.420947D+01  0.516075D+01
      6   0.116855D+02  0.990543D+01  0.504899D+01  0.193685D+01  0.254837D+01
               121           122           123           124           125 
      1  -0.243188D+01 -0.173002D+02 -0.122811D+02 -0.501308D+00 -0.997883D+01
      2   0.138413D+01  0.143356D+02  0.509903D+01  0.267091D+00  0.233116D+01
      3   0.104775D+01  0.296457D+01  0.718210D+01  0.234217D+00  0.764767D+01
      4   0.618435D+01  0.476728D+01  0.261544D+01  0.867767D+00  0.223974D+01
      5   0.342030D+01  0.140788D+01  0.173470D+01  0.312537D+01  0.137460D+01
      6   0.201592D+01  0.216773D+02  0.182061D+02  0.236827D+01  0.158202D+02
               126           127           128           129           130 
      1  -0.145499D+02  0.108103D+02  0.440295D+01  0.561251D+01  0.568030D+01
      2  -0.996738D+00  0.110703D+02 -0.671581D+01 -0.122782D+02 -0.117904D+02
      3   0.155467D+02 -0.218806D+02  0.231286D+01  0.666564D+01  0.611010D+01
      4   0.317924D+01  0.756328D+01  0.608046D+00  0.381165D+01 -0.948503D+00
      5   0.155308D+01  0.511725D+01 -0.517557D+01 -0.200494D+02 -0.658240D+01
      6   0.159977D+02 -0.496303D+00  0.389390D+01  0.134516D+01  0.537837D+01
               131           132           133           134           135 
      1   0.875191D+01  0.268364D+01  0.633684D+01  0.542610D+01 -0.119834D+02
      2  -0.228806D+02  0.125383D+02 -0.115859D+02  0.510968D+01  0.123230D+02
      3   0.141287D+02 -0.152220D+02  0.524905D+01 -0.105358D+02 -0.339552D+00
      4  -0.171043D+02  0.153976D+01  0.544861D+01 -0.904851D-01  0.171609D+01
      5   0.398472D+01  0.943408D+01 -0.198605D+02  0.598697D+01  0.991813D+01
      6   0.204449D+02  0.994681D+00  0.105147D+01  0.478938D+01 -0.119890D+02
               136           137           138           139           140 
      1   0.120793D+01  0.156769D+02  0.235394D+02  0.213411D+02  0.103639D+01
      2   0.179362D+01 -0.118288D+02 -0.113520D+02 -0.191477D+02 -0.141330D+02
      3  -0.300155D+01 -0.384805D+01 -0.121874D+02 -0.219336D+01  0.130966D+02
      4   0.153383D+02 -0.502615D+01  0.241412D+01 -0.111468D+02 -0.341995D+02
      5   0.245337D+02 -0.835791D+00 -0.136394D+02 -0.234278D+01 -0.408846D+01
      6   0.405746D+01 -0.771692D+00 -0.141115D+01 -0.198177D+01 -0.558984D+01
               141           142           143           144           145 
      1  -0.122912D+01  0.293840D+02 -0.174082D+01 -0.178148D+02  0.146631D+02
      2  -0.222829D+01 -0.140626D+02 -0.216599D+01  0.161364D+02  0.398826D+01
      3   0.345741D+01 -0.153213D+02  0.390681D+01  0.167835D+01 -0.186514D+02
      4  -0.350666D+01  0.323105D+01 -0.330128D+01  0.116467D+02 -0.297089D+02
      5   0.146425D+02 -0.193612D+02  0.135944D+02 -0.146731D+02 -0.375333D+01
      6   0.204716D+01 -0.167279D+01  0.246770D+01 -0.110442D+01  0.199989D+01
               146           147           148           149           150 
      1  -0.453885D+01 -0.180696D+01 -0.130789D+01 -0.409862D+01 -0.743203D+00
      2  -0.109549D+02  0.763027D-01 -0.116962D+02  0.221914D+02  0.297670D+01
      3   0.154938D+02  0.173065D+01  0.130041D+02 -0.180928D+02 -0.223349D+01
      4   0.267496D+02  0.370331D+01  0.230871D+02 -0.266468D+02 -0.334019D+01
      5   0.220168D+01  0.538426D+01  0.177949D+01 -0.261250D+01 -0.252156D+01
      6  -0.159209D+01 -0.321165D+01 -0.133406D+01  0.259050D+01  0.599251D+01
               151           152           153           154           155 
      1  -0.157187D+01 -0.697157D+00 -0.977268D+00  0.368046D+01  0.189690D+01
      2   0.604296D-01  0.331541D+01  0.231293D+01 -0.122501D+02 -0.260528D+00
      3   0.151144D+01 -0.261825D+01 -0.133566D+01  0.856965D+01 -0.163637D+01
      4   0.376269D+01 -0.370866D+01 -0.566792D+01 -0.473242D+01  0.446987D+01
      5   0.570479D+01 -0.428172D+01 -0.215773D+01  0.195857D+02 -0.460822D+01
      6  -0.413272D+01  0.766403D+01  0.121610D+01 -0.855297D+01  0.467933D+01
               156           157           158           159           160 
      1  -0.348969D+01 -0.711428D+00 -0.732441D+00  0.130408D+01 -0.284134D+01
      2  -0.119173D+02 -0.101701D+01 -0.127929D+01 -0.158588D+01 -0.108737D+02
      3   0.154070D+02  0.172844D+01  0.201174D+01  0.281803D+00  0.137151D+02
      4  -0.517177D+01  0.488061D+01 -0.147435D+01  0.264518D+01 -0.402438D+01
      5   0.184002D+02 -0.132774D+01  0.365910D+01 -0.111002D+01  0.166919D+02
      6  -0.870511D+01  0.317880D+01 -0.223942D+01  0.706822D+01 -0.663079D+01
               161           162           163           164           165 
      1   0.344916D+01 -0.110577D+02 -0.323189D+01 -0.730585D+01  0.815586D+01
      2   0.824273D+00 -0.164284D+02 -0.149396D+01  0.438953D+01  0.122593D+01
      3  -0.427343D+01  0.274861D+02  0.472586D+01  0.291631D+01 -0.938179D+01
      4   0.233131D+01 -0.400187D+01  0.860392D+01  0.805571D+01 -0.670070D+01
      5  -0.294651D+01  0.201991D+02 -0.114607D+02 -0.754103D+01  0.123455D+02
      6   0.741617D+01 -0.123865D+02 -0.989877D+01 -0.129901D+02  0.118805D+02
               166           167           168           169           170 
      1  -0.485613D+01 -0.102552D+02  0.882577D+01  0.413457D+01  0.753289D+01
      2   0.303683D+01  0.972949D+01 -0.195630D+01  0.701800D+00 -0.277457D+00
      3   0.181929D+01  0.525679D+00 -0.686948D+01 -0.483637D+01 -0.725543D+01
      4   0.709364D+01  0.610906D+01 -0.451913D+01 -0.429568D+01 -0.398185D+01
      5  -0.528292D+01 -0.680205D+01  0.498912D+01  0.869104D+01  0.469256D+01
      6  -0.855858D+01 -0.142302D+02  0.142061D+02  0.632661D+01  0.118981D+02
               171           172           173           174           175 
      1  -0.109448D+02 -0.464002D+01  0.816491D+00 -0.934302D+01 -0.644596D+00
      2  -0.327113D+01 -0.433354D+01 -0.575278D+00 -0.362719D+01  0.888193D+00
      3   0.142159D+02  0.897356D+01 -0.241213D+00  0.129702D+02 -0.243597D+00
      4   0.465218D+01 -0.884235D+01  0.547898D+00 -0.222142D+01  0.116932D+01
      5  -0.777083D+01  0.136715D+02  0.166876D+01  0.788153D+01  0.198331D+01
      6  -0.146164D+02 -0.971270D-01  0.407712D+01 -0.478787D+01  0.240228D+01
               176           177           178           179           180 
      1  -0.297306D+01 -0.498137D+00 -0.591088D+01 -0.348155D+00 -0.682430D+01
      2   0.288631D+01 -0.267596D+01 -0.272394D+01 -0.104450D+01 -0.608064D+01
      3   0.867475D-01  0.317410D+01  0.863482D+01  0.139266D+01  0.129049D+02
      4   0.762060D+00  0.198190D+00 -0.256977D+01  0.624320D+00 -0.310484D+01
      5   0.187049D+01 -0.169000D+01  0.888028D+01 -0.258954D+00  0.541323D+01
      6  -0.181811D+01  0.246676D+01 -0.222669D+01  0.236210D+01 -0.198807D+01
               181           182           183           184           185 
      1  -0.550009D+00  0.158584D+01 -0.328889D+00 -0.498440D+00 -0.204649D+02
      2   0.173237D+01  0.156720D+01  0.159900D+01  0.518013D+01  0.376852D+02
      3  -0.118236D+01 -0.315304D+01 -0.127011D+01 -0.468169D+01 -0.172203D+02
      4   0.451748D+01  0.796944D+01 -0.229507D+01  0.102495D+02  0.208025D+02
      5  -0.254866D+01 -0.333540D+01  0.500476D+01 -0.416627D+01 -0.561379D+01
      6  -0.333447D+01 -0.307586D+01  0.124739D+01 -0.588318D+01 -0.296087D+02
               186           187           188           189           190 
      1   0.761373D+01  0.602220D+00  0.231356D+01 -0.227503D+01  0.868690D+01
      2  -0.511306D+01  0.170187D+01  0.134739D+01  0.177718D+01 -0.170845D+02
      3  -0.250066D+01 -0.230409D+01 -0.366094D+01  0.497851D+00  0.839757D+01
      4  -0.496594D+01 -0.906273D-01  0.253493D+00  0.248527D+01  0.242966D+01
      5   0.387049D+01  0.335883D+01  0.166973D+01 -0.182571D+01 -0.230503D+02
      6   0.133064D+02  0.135046D+01  0.691421D+01 -0.323952D+01 -0.239677D-01
               191           192           193           194           195 
      1  -0.227114D+01 -0.144240D+01 -0.325781D+01 -0.681089D+00 -0.171439D+01
      2   0.371427D+01  0.159651D+02  0.650103D+01 -0.109550D+01 -0.817417D+01
      3  -0.144313D+01 -0.145227D+02 -0.324322D+01  0.177659D+01  0.988856D+01
      4   0.365511D+01 -0.315714D+01  0.301340D+01 -0.746097D+00 -0.305171D+01
      5   0.293020D+01  0.239180D+02  0.781652D+01 -0.591653D+01 -0.894824D+01
      6  -0.531393D+01  0.183431D+01 -0.465496D+01  0.204310D+01  0.516890D+01
               196           197           198           199           200 
      1  -0.106687D+01 -0.627119D+00 -0.639080D+01  0.908170D+01 -0.452712D+01
      2   0.137900D+02 -0.367554D+01 -0.225233D+02 -0.824688D+01  0.327003D+01
      3  -0.127232D+02  0.430266D+01  0.289141D+02 -0.834826D+00  0.125709D+01
      4  -0.231125D+01 -0.263087D+01  0.159694D+01 -0.363428D+01  0.267548D+01
      5   0.202062D+02 -0.331092D+01 -0.264443D+02  0.962568D+01 -0.305589D+01
      6   0.655045D+00  0.508556D+01 -0.699178D+00 -0.294543D+00  0.542458D+00
               201           202           203           204           205 
      1   0.674170D+01 -0.943195D+01  0.935646D+00 -0.179376D+01  0.121659D+02
      2  -0.676546D+01  0.637579D+01 -0.415696D+00  0.370136D+01 -0.106634D+02
      3   0.237590D-01  0.305616D+01 -0.519950D+00 -0.190760D+01 -0.150248D+01
      4  -0.163106D+01  0.441175D+01 -0.241837D+01  0.648149D+01  0.143710D+00
      5   0.141931D+02 -0.468963D+01  0.636190D+01 -0.953063D+01  0.203106D+02
      6   0.632481D+00  0.923003D+00 -0.140207D+01  0.266117D+01  0.216823D+01
               206           207           208           209           210 
      1  -0.234722D+00  0.630541D+01  0.526167D+02 -0.892314D+01 -0.180956D+02
      2   0.323499D+01 -0.169297D+02 -0.286327D+02  0.550071D+01  0.102953D+02
      3  -0.300027D+01  0.106243D+02 -0.239840D+02  0.342243D+01  0.780027D+01
      4   0.764765D+01 -0.523393D+01 -0.309326D+01  0.812699D+01  0.107377D+01
      5  -0.720785D+01  0.333852D+02 -0.195364D+02  0.291587D+01  0.148841D+02
      6   0.303378D+01  0.313400D+01 -0.205360D+01 -0.147729D+00  0.163631D+01
               211           212           213           214           215 
      1  -0.178643D+02  0.709047D+01  0.427097D+01 -0.307990D+02  0.342384D+01
      2   0.105472D+02 -0.192272D+01 -0.248608D+01  0.178367D+02 -0.223916D+01
      3   0.731710D+01 -0.516775D+01 -0.178489D+01  0.129623D+02 -0.118468D+01
      4   0.105757D+02 -0.261190D+01 -0.428995D+01 -0.504182D+00 -0.634983D+01
      5   0.540342D+01 -0.408667D+01 -0.690423D+01  0.206659D+02 -0.499039D+01
      6  -0.686737D+00  0.131173D+01  0.118052D+01  0.174247D+01  0.119043D+01
               216           217           218           219           220 
      1   0.143475D+02  0.585353D+01  0.609373D+01 -0.140334D+01  0.934721D+01
      2  -0.118124D+02  0.555184D+00 -0.551156D+00  0.104447D+01  0.403772D+01
      3  -0.253513D+01 -0.640871D+01 -0.554257D+01  0.358863D+00 -0.133849D+02
      4  -0.308722D+01  0.890958D+01  0.121428D+02  0.117035D+01  0.254920D+02
      5  -0.169292D+02 -0.778032D+00  0.180806D+01  0.307608D+01  0.387507D+01
      6  -0.151551D+01  0.886495D+00  0.974358D+00  0.358600D+00  0.319528D+01
               221           222           223           224           225 
      1  -0.507651D+01  0.289689D+00 -0.304949D+01 -0.249437D+00  0.915135D+00
      2   0.263875D+02  0.831303D+00  0.149351D+01  0.836150D+00  0.500057D+00
      3  -0.213110D+02 -0.112099D+01  0.155598D+01 -0.586714D+00 -0.141519D+01
      4   0.477288D+02  0.417468D+01  0.132900D+01  0.301537D+01  0.481303D+01
      5   0.438705D+01  0.611901D+01  0.614440D+01  0.468569D+01  0.286627D+01
      6   0.765103D+01  0.654329D+01  0.267893D+01  0.622203D+01  0.155294D+01
               226           227           228           229           230 
      1   0.166989D+02  0.115198D+02 -0.544721D+01  0.717714D+01  0.268022D+01
      2  -0.615353D+01 -0.311785D+01  0.144791D+01  0.328654D+00  0.610546D+01
      3  -0.105453D+02 -0.840193D+01  0.399930D+01 -0.750580D+01 -0.878568D+01
      4   0.194924D+02  0.209841D+02 -0.666809D+01  0.149116D+02  0.254360D+02
      5  -0.681345D+01 -0.336525D+01  0.765541D+01 -0.314478D+01 -0.680371D+01
      6  -0.500117D+01 -0.456824D+01  0.389433D+01 -0.435761D+01 -0.615446D+01
               231           232           233           234 
      1  -0.259065D+01 -0.943892D+01 -0.359901D+01  0.562006D+01
      2  -0.159946D+01  0.354878D+01 -0.178523D+01 -0.360977D+01
      3   0.419010D+01  0.589013D+01  0.538424D+01 -0.201029D+01
      4  -0.840392D+01 -0.108067D+02 -0.191837D+02  0.105568D+02
      5   0.293308D+01  0.101230D+02  0.723391D+01 -0.974943D+01
      6   0.615456D+01  0.556387D+01  0.792662D+01 -0.679608D+01
 Leave Link  716 at Thu Jul 22 19:06:57 2021, MaxMem= 17179869184 cpu:               8.8 elap:               1.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.127228D+03 -0.753631D+01  0.114252D+00
      2  -0.753631D+01  0.119222D+03  0.107448D+01
      3   0.114252D+00  0.107448D+01  0.103999D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.390944D+01 -0.300531D+01  0.189887D+01
      2   0.706434D+01  0.214617D+01 -0.709729D+01
      3   0.109921D+02 -0.931381D+01 -0.603657D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1   0.123719D+02 -0.306266D+02  0.501971D+01
      2   0.197879D+02 -0.787074D+01 -0.964743D+01
      3  -0.321597D+02  0.384974D+02  0.462772D+01
      4  -0.714756D+02  0.567530D+02  0.123380D+02
      5   0.677720D+01  0.181207D+02 -0.219896D+02
      6   0.915320D+01 -0.456557D+01  0.967249D+00
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.163939D+01 -0.215538D+01 -0.173893D+01 -0.121273D+01  0.135821D+01
      2  -0.215538D+01 -0.151684D+01  0.118006D+01  0.135821D+01 -0.371094D+01
      3  -0.173893D+01  0.118006D+01 -0.274605D+01  0.184631D+01  0.117423D+01
                 6             7             8             9            10 
      1   0.184631D+01 -0.293756D+01  0.211712D+01 -0.336481D+01 -0.447098D-01
      2   0.117423D+01  0.211712D+01  0.245930D+01 -0.109830D+01  0.241789D+01
      3  -0.797946D-02 -0.336481D+01 -0.109830D+01 -0.656245D+00  0.183166D+01
                11            12            13            14            15 
      1   0.241789D+01  0.183166D+01  0.201918D+01 -0.314590D+01 -0.193665D+00
      2  -0.330450D+01 -0.557771D-01 -0.314590D+01 -0.671682D+01  0.657446D+00
      3  -0.557771D-01  0.194872D+01 -0.193665D+00  0.657446D+00  0.852015D+00
                16            17            18            19            20 
      1   0.222434D+01  0.165920D+00  0.202310D+01 -0.123513D+02  0.907296D+01
      2   0.165920D+00  0.137849D+01 -0.132578D+00  0.907296D+01 -0.769769D+01
      3   0.202310D+01 -0.132578D+00 -0.561905D+01  0.316013D+01 -0.523435D+00
                21            22            23            24            25 
      1   0.316013D+01  0.867188D+01 -0.773154D+01 -0.164763D+01  0.169658D+00
      2  -0.523435D+00 -0.773154D+01  0.103365D+02 -0.208597D+01  0.362881D+00
      3  -0.169595D+01 -0.164763D+01 -0.208597D+01  0.256987D+01 -0.829780D+00
                26            27            28            29            30 
      1   0.362881D+00 -0.829780D+00  0.671581D+01 -0.643785D+01 -0.547670D+01
      2  -0.191838D+01  0.105016D+01 -0.643785D+01  0.741389D+01  0.228702D+01
      3   0.105016D+01 -0.150579D+00 -0.547670D+01  0.228702D+01  0.256001D+01
                31            32            33            34            35 
      1  -0.908547D+01  0.813759D+01  0.797872D+00 -0.615116D+01  0.121143D+01
      2   0.813759D+01 -0.843324D+01  0.376827D+01  0.121143D+01  0.481467D+01
      3   0.797872D+00  0.376827D+01 -0.249713D+01  0.337561D+01 -0.310880D+01
                36            37            38            39            40 
      1   0.337561D+01  0.112110D+02 -0.556117D+01 -0.402648D+01 -0.196237D+01
      2  -0.310880D+01 -0.556117D+01  0.351172D+01 -0.269154D+00  0.269510D+01
      3  -0.854011D+00 -0.402648D+01 -0.269154D+00  0.231922D+01 -0.968892D+00
                41            42            43            44            45 
      1   0.269510D+01 -0.968892D+00 -0.657100D+01  0.100134D+00  0.316997D+01
      2   0.509037D+00  0.513203D+01  0.100134D+00  0.515402D+01  0.747616D+00
      3   0.513203D+01  0.904931D+00  0.316997D+01  0.747616D+00 -0.989930D+00
                46            47            48            49            50 
      1  -0.375574D+01  0.298375D+01  0.577982D+01  0.406854D+01 -0.440950D+01
      2   0.298375D+01 -0.237692D+01  0.126999D-01 -0.440950D+01 -0.690452D+01
      3   0.577982D+01  0.126999D-01 -0.229296D+01 -0.324733D+00 -0.156030D+00
                51            52            53            54            55 
      1  -0.324733D+00  0.104557D+02 -0.168430D+01 -0.273981D+01  0.147497D+01
      2  -0.156030D+00 -0.168430D+01  0.576754D+00  0.224507D+01 -0.303796D+01
      3   0.188781D+01 -0.273981D+01  0.224507D+01 -0.732582D+00 -0.245173D+01
                56            57            58            59            60 
      1  -0.303796D+01 -0.245173D+01 -0.323459D+01  0.570340D+01  0.776190D-01
      2   0.538362D+01 -0.201791D+00  0.570340D+01  0.380975D+01 -0.215369D+01
      3  -0.201791D+00 -0.138503D+01  0.776190D-01 -0.215369D+01  0.120620D+01
                61            62            63            64            65 
      1  -0.247586D+01 -0.615921D+00 -0.158470D+01  0.112951D+00 -0.777246D+00
      2  -0.615921D+00 -0.279264D+01  0.568945D+00 -0.777246D+00 -0.373820D+01
      3  -0.158470D+01  0.568945D+00  0.464211D+01  0.383437D+01  0.239381D+01
                66            67            68            69            70 
      1   0.383437D+01  0.590562D+00 -0.393723D+01  0.297202D+01  0.366562D+01
      2   0.239381D+01 -0.393723D+01  0.390509D+01 -0.145681D+01  0.166010D+01
      3   0.184733D+01  0.297202D+01 -0.145681D+01 -0.248042D+01  0.152451D+01
                71            72            73            74            75 
      1   0.166010D+01  0.152451D+01  0.453192D+01  0.594660D+00  0.267760D+01
      2  -0.311538D+00 -0.197663D+01  0.594660D+00  0.116704D+01  0.378277D+00
      3  -0.197663D+01 -0.150801D+01  0.267760D+01  0.378277D+00  0.243855D+01
                76            77            78            79            80 
      1  -0.547610D+00  0.769744D+00 -0.484949D+00  0.355668D+01  0.185361D+00
      2   0.769744D+00 -0.495081D-01  0.623849D+00  0.185361D+00  0.629565D+00
      3  -0.484949D+00  0.623849D+00 -0.265094D+00  0.315922D+01  0.754518D+00
                81            82            83            84            85 
      1   0.315922D+01  0.928900D+00  0.151989D+01 -0.132167D+00  0.145507D+01
      2   0.754518D+00  0.151989D+01  0.177175D+01  0.172431D+00  0.201199D+01
      3   0.429358D+01 -0.132167D+00  0.172431D+00 -0.823279D-01  0.256381D+00
                86            87            88            89            90 
      1   0.201199D+01  0.256381D+00 -0.655104D+00 -0.194558D+00 -0.193878D-01
      2   0.120148D+02  0.741675D+00 -0.194558D+00 -0.113208D+01  0.127446D+01
      3   0.741675D+00  0.980860D+00 -0.193878D-01  0.127446D+01  0.471146D+00
                91            92            93            94            95 
      1  -0.818238D+00 -0.133036D+00  0.100694D+01 -0.417003D+00  0.259376D-01
      2  -0.133036D+00  0.515767D-01 -0.260341D+00  0.259376D-01  0.831924D+00
      3   0.100694D+01 -0.260341D+00 -0.119992D+01  0.330737D-01  0.105520D+01
                96            97            98            99           100 
      1   0.330737D-01  0.125451D+01 -0.477189D-01 -0.968798D+00  0.922993D+01
      2   0.105520D+01 -0.477189D-01  0.149954D+01  0.173168D+01 -0.233038D+01
      3  -0.753954D-01 -0.968798D+00  0.173168D+01  0.865029D+01  0.279185D+01
               101           102           103           104           105 
      1  -0.233038D+01  0.279185D+01 -0.733639D+00  0.167493D+01  0.409734D+00
      2   0.173723D+01 -0.838834D+00  0.167493D+01 -0.166703D+01 -0.207043D+00
      3  -0.838834D+00  0.150718D+01  0.409734D+00 -0.207043D+00  0.465171D-01
               106           107           108           109           110 
      1   0.484952D+01 -0.731513D+00  0.141573D+01  0.965054D+00 -0.125788D+01
      2  -0.731513D+00 -0.773874D-01 -0.716093D-01 -0.125788D+01 -0.821043D+00
      3   0.141573D+01 -0.716093D-01  0.121499D+01  0.159493D+00 -0.100740D+01
               111           112           113           114           115 
      1   0.159493D+00 -0.147789D+01  0.134204D+01  0.462432D+00  0.706297D-01
      2  -0.100740D+01  0.134204D+01 -0.822481D+01 -0.300195D+01 -0.100164D+00
      3  -0.619993D+00  0.462432D+00 -0.300195D+01 -0.188335D+01 -0.206251D+00
               116           117           118           119           120 
      1  -0.100164D+00 -0.206251D+00 -0.445344D+00 -0.110681D+01 -0.525736D+00
      2  -0.392063D+01 -0.159992D+01 -0.110681D+01 -0.727299D+00 -0.354019D+00
      3  -0.159992D+01 -0.140004D+01 -0.525736D+00 -0.354019D+00 -0.650317D+00
               121           122           123           124           125 
      1  -0.162112D+01 -0.519836D+00 -0.417216D+00  0.548862D-02 -0.421549D+00
      2  -0.519836D+00 -0.525993D+01 -0.326379D+01 -0.421549D+00 -0.256085D+01
      3  -0.417216D+00 -0.326379D+01 -0.279087D+01 -0.568180D+00 -0.264895D+01
               126           127           128           129           130 
      1  -0.568180D+00 -0.246206D+01 -0.158142D+01 -0.444212D+01 -0.176598D+01
      2  -0.264895D+01 -0.158142D+01  0.126133D+01  0.249042D+00  0.197319D+01
      3  -0.369212D+01 -0.444212D+01  0.249042D+00  0.221686D+01  0.582736D+00
               131           132           133           134           135 
      1   0.197319D+01  0.582736D+00 -0.470648D+01  0.472798D+00  0.216401D+01
      2   0.660197D+01 -0.697174D+00  0.472798D+00  0.101346D+00 -0.253840D+01
      3  -0.697174D+00 -0.281498D+01  0.216401D+01 -0.253840D+01 -0.101169D+00
               136           137           138           139           140 
      1  -0.355895D+00 -0.233300D+01 -0.408390D+01 -0.331938D+01  0.292361D+01
      2  -0.233300D+01  0.128815D+01  0.203155D-01  0.292361D+01  0.639785D+01
      3  -0.408390D+01  0.203155D-01  0.222941D+01  0.249924D+00  0.850145D+00
               141           142           143           144           145 
      1   0.249924D+00 -0.543979D+01  0.732077D+00  0.310051D+01 -0.602194D+01
      2   0.850145D+00  0.732077D+00  0.439416D+00 -0.255127D+01  0.409814D+01
      3  -0.275206D+01  0.310051D+01 -0.255127D+01  0.273852D+01  0.951319D+00
               146           147           148           149           150 
      1   0.409814D+01  0.951319D+00  0.327279D+01 -0.379172D+01 -0.207854D+00
      2  -0.426254D+01 -0.487096D+00 -0.379172D+01  0.536610D+01  0.913589D+00
      3  -0.487096D+00 -0.768897D+00 -0.207854D+00  0.913589D+00  0.756505D+00
               151           152           153           154           155 
      1   0.104996D+01 -0.368709D+00 -0.989560D+00 -0.448235D+01  0.797400D+00
      2  -0.368709D+00  0.107208D+01  0.128851D+01  0.797400D+00 -0.943728D+00
      3  -0.989560D+00  0.128851D+01  0.357629D+00 -0.317473D+01  0.537852D+00
               156           157           158           159           160 
      1  -0.317473D+01 -0.938460D-01 -0.565898D+00  0.521849D-01 -0.282679D+01
      2   0.537852D+00 -0.565898D+00  0.734146D-01 -0.840213D+00  0.499686D+00
      3  -0.369249D+01  0.521849D-01 -0.840213D+00  0.496644D+00 -0.327905D+01
               161           162           163           164           165 
      1   0.499686D+00 -0.327905D+01  0.305539D+01  0.192111D+01 -0.242481D+01
      2  -0.980363D+00  0.113736D+01  0.192111D+01  0.264658D+01 -0.194927D+01
      3   0.113736D+01 -0.549360D+01 -0.242481D+01 -0.194927D+01  0.276907D+01
               166           167           168           169           170 
      1   0.118625D+01  0.193110D+01 -0.119800D+01 -0.132883D+01 -0.108264D+01
      2   0.193110D+01  0.296767D+01 -0.205232D+01 -0.108264D+01 -0.148005D+01
      3  -0.119800D+01 -0.205232D+01  0.231665D+01  0.138973D+01  0.217438D+01
               171           172           173           174           175 
      1   0.138973D+01  0.517084D+01  0.599441D+00  0.175975D+01  0.751482D+00
      2   0.217438D+01  0.599441D+00  0.879448D+00 -0.269614D+00  0.549531D+00
      3  -0.343851D+01  0.175975D+01 -0.269614D+00  0.243767D+01 -0.964499D-01
               176           177           178           179           180 
      1   0.549531D+00 -0.964499D-01  0.164940D+01 -0.468778D-02  0.149476D+01
      2  -0.397814D+00  0.474812D+00 -0.468778D-02  0.341444D+00  0.234672D+00
      3   0.474812D+00  0.557447D+00  0.149476D+01  0.234672D+00  0.217301D+01
               181           182           183           184           185 
      1  -0.462986D+00 -0.102349D+01  0.725517D+00 -0.135660D+01 -0.172199D+01
      2  -0.102349D+01 -0.907453D+00  0.153065D+00 -0.172199D+01 -0.866536D+01
      3   0.725517D+00  0.153065D+00 -0.619206D+00  0.382349D+00  0.206518D+01
               186           187           188           189           190 
      1   0.382349D+00  0.258798D+00 -0.567532D-01 -0.478524D+00 -0.380162D+01
      2   0.206518D+01 -0.567532D-01  0.130885D+00 -0.875040D+00  0.563820D+00
      3  -0.170970D+01 -0.478524D+00 -0.875040D+00  0.328254D+00  0.343209D+01
               191           192           193           194           195 
      1   0.563820D+00  0.343209D+01  0.140125D+01 -0.100495D+01 -0.104424D+01
      2  -0.110182D+01 -0.193355D+00 -0.100495D+01  0.265028D+00  0.106493D+01
      3  -0.193355D+00 -0.394195D+01 -0.104424D+01  0.106493D+01  0.216815D+01
               196           197           198           199           200 
      1   0.265541D+01 -0.277131D+00 -0.320001D+01 -0.135765D+01  0.852261D+00
      2  -0.277131D+00  0.709906D+00  0.814071D+00  0.852261D+00 -0.347426D+00
      3  -0.320001D+01  0.814071D+00  0.570698D+01 -0.138285D+01  0.325995D+00
               201           202           203           204           205 
      1  -0.138285D+01  0.164778D+01 -0.680477D+00  0.515148D+00 -0.250371D+01
      2   0.325995D+00 -0.680477D+00  0.459611D+00 -0.122972D+01  0.714594D-01
      3  -0.169703D+01  0.515148D+00 -0.122972D+01  0.162257D+01 -0.263788D+01
               206           207           208           209           210 
      1   0.714594D-01 -0.263788D+01 -0.723923D+01  0.109417D+01  0.271678D+01
      2  -0.129840D+01  0.133957D+01  0.109417D+01 -0.952413D+00 -0.425020D+00
      3   0.133957D+01 -0.575187D+01  0.271678D+01 -0.425020D+00 -0.179428D+01
               211           212           213           214           215 
      1   0.288449D+01 -0.165979D+01 -0.746457D+00  0.524514D+01 -0.505022D+00
      2  -0.165979D+01  0.365901D+00  0.609644D+00 -0.505022D+00  0.893439D+00
      3  -0.746457D+00  0.609644D+00  0.105645D+01 -0.274266D+01  0.771305D+00
               216           217           218           219           220 
      1  -0.274266D+01 -0.115673D+01 -0.121880D+01  0.218206D+00 -0.300412D+01
      2   0.771305D+00 -0.121880D+01 -0.975707D+00 -0.118145D+00 -0.347328D+01
      3   0.235392D+01  0.218206D+00 -0.118145D+00 -0.214798D+00 -0.476564D+00
               221           222           223           224           225 
      1  -0.347328D+01 -0.476564D+00  0.395732D+00 -0.273647D+00 -0.866640D+00
      2  -0.818979D+01 -0.723666D+00 -0.273647D+00 -0.494404D+00 -0.860807D+00
      3  -0.723666D+00 -0.976699D+00 -0.866640D+00 -0.860807D+00 -0.489529D+00
               226           227           228           229           230 
      1   0.299838D+01  0.243892D+01 -0.118536D+01  0.188308D+01  0.154574D+01
      2   0.243892D+01  0.256125D+01 -0.757315D+00  0.154574D+01  0.431518D+01
      3  -0.118536D+01 -0.757315D+00  0.112717D+01 -0.831134D+00 -0.126262D+01
               231           232           233           234 
      1  -0.831134D+00 -0.191034D+01 -0.121466D+01  0.165891D+01
      2  -0.126262D+01 -0.121466D+01 -0.323412D+01  0.132999D+01
      3   0.831055D+00  0.165891D+01  0.132999D+01 -0.205318D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.173423D+01 -0.143694D+01  0.340970D+01  0.529598D+00 -0.262223D+01
      2  -0.655837D+01  0.761838D+01 -0.427484D+01  0.609029D+01  0.491117D+01
      3   0.847433D+01 -0.838800D+01 -0.744089D+01 -0.216206D+01  0.553423D+01
                 6             7             8             9            10 
      1  -0.129298D+01  0.350129D+01  0.919626D+01  0.192497D+01 -0.197933D+01
      2  -0.353331D+00 -0.996927D+01 -0.593934D+01 -0.261307D+00  0.217958D+01
      3  -0.147335D+01 -0.999653D+01 -0.289612D+01 -0.277845D+01 -0.856324D+00
                11            12            13            14            15 
      1  -0.323024D+01 -0.424627D+01 -0.283670D+01 -0.109663D+02 -0.405700D+01
      2  -0.244245D+01  0.514199D+00 -0.336752D+01  0.221653D+01  0.615891D+00
      3   0.702005D+01  0.511168D+01  0.119495D+02 -0.484987D+01 -0.328555D+00
                16            17            18            19            20 
      1  -0.533816D+01  0.540018D+01  0.149698D+02 -0.223218D+01  0.204636D+01
      2  -0.506710D+01  0.711976D+00 -0.520591D+01  0.193770D+01  0.607840D+01
      3   0.636667D+01  0.422374D+00  0.348488D+01  0.314739D+01 -0.189996D+01
                21            22            23            24            25 
      1  -0.552694D+01 -0.134198D+01 -0.904797D+01  0.649660D+01 -0.806833D+01
      2  -0.408715D+01  0.259759D+01 -0.675831D+01  0.748685D+01 -0.129804D+02
      3  -0.434580D+01  0.111588D+02 -0.164567D+02  0.726004D+01  0.892170D+00
                26            27            28            29            30 
      1   0.132426D+02  0.189881D+01 -0.796283D+01 -0.336339D+00  0.501279D+01
      2   0.752802D+01 -0.259561D+01 -0.762661D+01  0.368981D+01  0.662419D+01
      3   0.293553D+01 -0.350868D+00  0.851630D+01 -0.135038D+02  0.382871D+01
                31            32            33            34            35 
      1  -0.338103D+01  0.108236D+02 -0.805688D+01  0.148982D+01 -0.468644D-01
      2  -0.218759D+01  0.143474D+02 -0.760728D+01 -0.146182D+01 -0.404946D+01
      3  -0.833115D-01  0.447458D+01 -0.115711D+02  0.841238D+01 -0.158884D+02
                36            37            38            39            40 
      1   0.295183D+01 -0.126186D+01 -0.157656D+01  0.238607D+01 -0.454366D+01
      2  -0.207390D+01  0.100251D+02 -0.663220D+01 -0.185880D+01 -0.283375D+01
      3   0.205245D+01 -0.198873D+01 -0.130569D+01  0.153502D+01  0.836746D+01
                41            42            43            44            45 
      1   0.775587D+01 -0.965974D+01  0.694004D+01 -0.407659D+01 -0.210799D+01
      2   0.361406D+01 -0.166048D+01 -0.152547D+02  0.425393D+01  0.410592D+01
      3  -0.430565D+01 -0.184274D+01  0.335192D+01  0.655757D+00 -0.250825D+01
                46            47            48            49            50 
      1   0.391046D+01 -0.580539D+00 -0.178548D+01 -0.199383D+01 -0.425332D+01
      2  -0.127954D+02  0.708044D+00  0.896036D+01  0.274365D+01 -0.887391D+00
      3   0.374904D+01 -0.100289D+02 -0.168801D+01 -0.981733D+00 -0.131456D+02
                51            52            53            54            55 
      1  -0.210339D+01 -0.389254D+01  0.819352D+01  0.549354D+00  0.346515D+01
      2  -0.386882D+01  0.263609D+01 -0.677791D+01  0.343663D+01  0.237651D+01
      3  -0.930231D+00 -0.503278D+01  0.659665D+00  0.715859D+01 -0.244477D+01
                56            57            58            59            60 
      1   0.149922D+01  0.521426D+01  0.247307D+01  0.460394D+01 -0.514251D+01
      2   0.262303D+01  0.443669D+01  0.142933D+01  0.156934D+01 -0.124878D+01
      3  -0.504675D+01 -0.427096D+01  0.339169D+01  0.135376D+02 -0.189733D+01
                61            62            63            64            65 
      1   0.311647D+01  0.223389D+01 -0.111015D+02 -0.172149D+01  0.355398D+01
      2  -0.198789D+01 -0.236957D+01 -0.565735D+01 -0.168484D+01 -0.533506D+01
      3  -0.554569D+01 -0.348574D+01 -0.329934D+01  0.924092D+00 -0.710755D+01
                66            67            68            69            70 
      1  -0.979233D+01  0.657179D+01 -0.839709D+01  0.388153D+01 -0.718436D+01
      2   0.115597D+02 -0.262940D+01 -0.670658D+01  0.845314D+01  0.384851D+01
      3   0.702159D+01 -0.611406D+00 -0.134820D+01  0.295558D+01  0.499415D+01
                71            72            73            74            75 
      1   0.769357D+01  0.835048D+01 -0.302672D+01  0.666521D+00 -0.287384D+01
      2   0.636533D+01  0.649394D+01  0.270436D+01  0.111869D+01  0.581606D+01
      3   0.191897D+01  0.190977D+01  0.393433D+01 -0.343177D+01  0.258321D+01
                76            77            78            79            80 
      1   0.434312D+00 -0.196031D+00 -0.795337D-01 -0.319558D+01  0.129069D+01
      2  -0.573649D+00  0.727314D+00 -0.723425D+00  0.307391D+01  0.187270D+01
      3  -0.513518D+00  0.216965D+01 -0.146667D+01  0.450136D+01 -0.238519D+01
                81            82            83            84            85 
      1  -0.451217D+01  0.180130D+01  0.191193D+01  0.120759D+00  0.121200D+01
      2   0.895617D+01 -0.101132D+01 -0.117542D+01  0.142166D+01 -0.154069D+01
      3   0.262370D+01  0.193774D+01  0.558939D+00 -0.682341D+00  0.526213D+01
                86            87            88            89            90 
      1   0.983408D+01 -0.446194D+01  0.116824D+00 -0.243784D+01  0.300211D+00
      2  -0.144630D+01  0.771776D+00 -0.653893D-01  0.550020D+00  0.181257D+00
      3  -0.295494D+01  0.410433D+00 -0.186189D+01  0.413919D+00 -0.649980D+00
                91            92            93            94            95 
      1  -0.255517D+01 -0.361906D+00  0.268393D+01 -0.555797D+00 -0.153597D+01
      2   0.148477D+01  0.449155D+00 -0.798206D+00  0.102787D+01  0.606817D+00
      3  -0.224674D+01 -0.215526D+01  0.193556D+01 -0.679853D+00  0.742948D+00
                96            97            98            99           100 
      1   0.129199D+01  0.253334D+01  0.146074D+01 -0.180406D+02  0.698486D+01
      2  -0.412271D+00 -0.512973D+01  0.712728D+00  0.562580D+01  0.100158D+02
      3  -0.569738D+00  0.339671D+01 -0.679550D+00 -0.225532D+01 -0.108857D+02
               101           102           103           104           105 
      1  -0.108132D+01  0.337425D+01  0.248890D+00  0.324819D+00 -0.149551D+00
      2  -0.458582D+01  0.800580D+01  0.117609D+01 -0.118413D+01  0.547867D+00
      3  -0.316578D+01 -0.336155D+01 -0.196675D+01  0.966495D+00 -0.120419D+00
               106           107           108           109           110 
      1   0.332556D+01  0.709534D+00  0.197200D+01  0.198384D+01 -0.185272D+01
      2   0.241374D+01  0.199328D+01  0.527244D+01 -0.202401D+00 -0.259750D+01
      3  -0.818651D+01  0.119630D+01 -0.179720D+01  0.295846D+01  0.357007D+01
               111           112           113           114           115 
      1  -0.180491D+01  0.156442D+01 -0.266300D+01 -0.536868D+01 -0.205765D+01
      2  -0.920773D+00 -0.111477D+01 -0.695265D+01 -0.395658D+01 -0.826909D+00
      3   0.233129D+01  0.217591D+01  0.190664D+02  0.748324D+01  0.906063D+00
               116           117           118           119           120 
      1   0.109428D+01 -0.355676D+01  0.100696D+01  0.590023D+00 -0.404353D-01
      2  -0.496834D+01 -0.276680D+01 -0.413252D+00 -0.106121D+01  0.551035D+00
      3   0.114521D+02  0.410827D+01 -0.429483D-01 -0.265590D+00  0.157312D+00
               121           122           123           124           125 
      1  -0.145553D+00  0.577354D+01 -0.836360D+00 -0.511314D-01  0.304018D+01
      2  -0.291693D+01 -0.288053D+00  0.265454D+00 -0.240136D+01 -0.404857D+00
      3   0.472460D+01 -0.480696D-01  0.708434D-01  0.108563D+01 -0.211722D-01
               126           127           128           129           130 
      1  -0.816203D+00 -0.871192D+01  0.240170D+01  0.297820D+01  0.554045D+01
      2  -0.302907D+00  0.124910D+02  0.121936D+01  0.102599D+02  0.220978D+01
      3   0.138366D+00  0.203482D+01  0.970962D+00  0.657922D+01  0.607215D+01
               131           132           133           134           135 
      1   0.147216D+02 -0.879057D+01  0.319758D+01 -0.398071D+00 -0.616758D+01
      2  -0.236715D+01  0.262265D+01  0.483351D+01  0.280409D+01 -0.404040D+01
      3   0.676671D+01 -0.924336D+00  0.634561D+01  0.719172D-02 -0.561047D+01
               136           137           138           139           140 
      1  -0.205167D+01 -0.213834D+00  0.261399D+01 -0.140756D+01 -0.152012D+01
      2   0.114782D+02 -0.161136D+01 -0.776846D+01 -0.233043D+01 -0.180015D+01
      3  -0.799872D+01  0.483750D+01  0.310472D+01  0.143444D+02  0.192513D+02
               141           142           143           144           145 
      1  -0.524156D+01  0.397195D+01 -0.640063D+00  0.391972D+01 -0.165100D+01
      2   0.897102D+01 -0.180840D+02  0.850231D+01 -0.100509D+02  0.254911D-01
      3   0.332938D+01  0.351574D+01  0.261640D+01 -0.113813D+02 -0.754246D+01
               146           147           148           149           150 
      1   0.249941D+00  0.284029D+01  0.303309D+00 -0.137589D+01 -0.381554D+01
      2   0.424815D+00  0.316129D+01 -0.447231D+00 -0.504499D+00 -0.215252D+01
      3  -0.342378D+00  0.104907D+01  0.429784D+01  0.180089D+00  0.274865D+00
               151           152           153           154           155 
      1   0.202465D+01 -0.964758D+00 -0.623216D+00  0.286529D+01  0.269268D+01
      2  -0.969471D-01 -0.134719D+01 -0.519284D+00 -0.955775D+01  0.500423D+00
      3   0.175068D+01  0.899921D+00 -0.382251D+00 -0.572452D+01 -0.162446D+01
               156           157           158           159           160 
      1   0.403293D+01  0.133488D+01  0.145240D+01 -0.245390D+00  0.343087D+01
      2  -0.281353D+01 -0.352499D+00 -0.788305D+00 -0.734299D+00 -0.626463D+01
      3  -0.328142D+01  0.837603D+00 -0.235787D+00 -0.514040D+00 -0.323364D+01
               161           162           163           164           165 
      1   0.234004D+01  0.370244D+01 -0.150592D+01 -0.453853D+01 -0.448078D+00
      2  -0.177699D+00 -0.249636D+01  0.960729D+01  0.484977D+01 -0.402925D+01
      3  -0.106387D+01 -0.316692D+01  0.586905D+01  0.177189D+01 -0.337861D+01
               166           167           168           169           170 
      1  -0.253411D+01 -0.409091D+01 -0.104963D+01  0.131309D+00  0.212123D+01
      2   0.427217D+01  0.494902D+01 -0.306366D+01 -0.464377D+01 -0.314242D+01
      3   0.431368D+01  0.214697D+01 -0.213258D+01 -0.272679D+01 -0.672790D+00
               171           172           173           174           175 
      1   0.148472D+00  0.408431D+01  0.317311D+01  0.196213D+01  0.223503D+01
      2   0.331132D+01 -0.173314D+02 -0.165537D+01 -0.372503D+01 -0.194908D+01
      3   0.256273D+01 -0.708077D+01 -0.204050D+01 -0.248806D+01  0.690998D+00
               176           177           178           179           180 
      1   0.591142D+00  0.554366D+00  0.219250D+01  0.214794D+01  0.255815D+01
      2  -0.184277D+01 -0.649528D+00 -0.675789D+01 -0.684288D+00 -0.409098D+01
      3  -0.992501D+00  0.943226D-01 -0.237844D+01 -0.705908D+00 -0.155051D+01
               181           182           183           184           185 
      1  -0.125373D+01 -0.171140D+01 -0.700764D+00 -0.306959D+01 -0.161525D+02
      2  -0.600493D+00  0.131837D+01  0.504408D+00  0.259977D+01 -0.142621D+00
      3  -0.117763D+01 -0.774668D+00 -0.616912D-01  0.291480D+01 -0.875488D+01
               186           187           188           189           190 
      1  -0.114571D+01 -0.512857D+00  0.481858D+00 -0.161288D+01  0.514314D+01
      2   0.183722D+01 -0.823802D+00  0.450182D+00  0.671249D+00  0.430227D+01
      3   0.212736D+01 -0.595547D-01 -0.109371D+00 -0.207460D+00  0.379174D+01
               191           192           193           194           195 
      1  -0.384226D+01 -0.470436D+01 -0.296285D+01  0.220697D+01  0.327616D+01
      2  -0.119964D+01 -0.916850D-01 -0.227057D+01  0.282818D+00 -0.127261D+01
      3  -0.352954D+01 -0.341942D+01 -0.146201D+01  0.146032D+01  0.195998D+01
               196           197           198           199           200 
      1  -0.416359D+01  0.444930D+01  0.755051D+01 -0.172535D+01  0.737553D+00
      2  -0.459044D+01 -0.157585D+00 -0.868150D+00  0.348948D+01 -0.188604D+00
      3  -0.290677D+01  0.213969D+01  0.392570D+01  0.313247D+01 -0.202322D+01
               201           202           203           204           205 
      1  -0.108178D+01  0.449201D+00 -0.178222D+01  0.139613D+01 -0.137212D+01
      2   0.498506D+01  0.576706D+00  0.377417D+01 -0.603702D+01  0.311271D+01
      3   0.176540D+01 -0.117936D+01  0.248952D+01 -0.427827D+01  0.118462D+01
               206           207           208           209           210 
      1   0.434475D+01 -0.522568D+01  0.178336D+01 -0.767624D+00 -0.928455D+00
      2  -0.525963D+01  0.178203D+02 -0.969665D+01  0.165585D+01  0.913536D+01
      3  -0.540988D+01  0.636880D+01  0.825424D+01 -0.606663D+01 -0.305025D+01
               211           212           213           214           215 
      1  -0.185986D+00  0.789551D+00 -0.324558D+00 -0.169182D+01  0.167127D+01
      2   0.267098D+01 -0.231584D+01 -0.425694D+01  0.789146D+01 -0.290379D+01
      3  -0.470448D+01  0.240762D+01  0.216060D+01 -0.401274D+01  0.425333D+01
               216           217           218           219           220 
      1   0.982300D+00  0.597643D+00  0.317767D+00 -0.398376D+00  0.472603D+00
      2  -0.905203D+01 -0.738041D+00 -0.145096D-01  0.182159D+01  0.280398D+00
      3   0.419720D+01 -0.326277D+01 -0.351882D+01 -0.600967D+00 -0.463019D+01
               221           222           223           224           225 
      1   0.280578D+01 -0.349565D+01 -0.498297D+00  0.314776D+00 -0.326091D+00
      2   0.102519D+01  0.347103D+01  0.165683D+01  0.182927D+01  0.121853D+01
      3  -0.234664D+02 -0.173468D+01 -0.109023D+01 -0.160954D+01 -0.172642D+01
               226           227           228           229           230 
      1   0.227862D+01  0.168942D+01 -0.229728D+01  0.151690D+01  0.238213D+01
      2  -0.382879D+01 -0.321678D+01  0.461459D+01 -0.316051D+01 -0.403909D+01
      3  -0.170505D+01 -0.213344D+01  0.529582D+00  0.208588D+01 -0.840231D+01
               231           232           233           234 
      1  -0.358389D+01 -0.171268D+01 -0.323910D+01  0.284920D+01
      2   0.295465D+01  0.332645D+01  0.437478D+01 -0.718000D+01
      3   0.172572D+01  0.327856D+00  0.535642D+01 -0.865747D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.625473D+01 -0.106797D+02 -0.604443D+01 -0.465485D+01 -0.112409D+00
      2   0.552435D+01  0.684970D+01  0.875059D+01  0.216643D+01  0.194963D+01
      3   0.730383D+00  0.382999D+01 -0.270617D+01  0.248842D+01 -0.183722D+01
      4  -0.794750D+01 -0.175632D+02  0.338737D+01 -0.274976D+01 -0.208583D+02
      5  -0.897273D+01  0.117737D+01 -0.167134D+02  0.678709D+01  0.474879D+01
      6  -0.163513D+01  0.716839D+01 -0.299401D+01  0.512079D+01  0.435440D+01
                 6             7             8             9            10 
      1   0.762815D+01 -0.713454D+01  0.817844D+01 -0.135744D+02 -0.718917D+01
      2  -0.260404D+01  0.109121D+02 -0.590672D+00  0.110548D+02  0.656662D+01
      3  -0.502411D+01 -0.377757D+01 -0.758776D+01  0.251959D+01  0.622547D+00
      4   0.810411D+01  0.842083D+01  0.166080D+02 -0.116005D+02 -0.433101D-01
      5   0.147872D+01 -0.202822D+02 -0.514766D+01 -0.856741D+01  0.220632D+01
      6  -0.226848D+01 -0.597417D+01 -0.597057D+01  0.868295D+00  0.835087D+01
                11            12            13            14            15 
      1   0.100034D+02 -0.161113D+01  0.124720D+02  0.211230D+02 -0.293585D+01
      2  -0.139552D+02 -0.562634D+00 -0.149763D+02 -0.440133D+02  0.961917D+00
      3   0.395180D+01  0.217377D+01  0.250427D+01  0.228903D+02  0.197394D+01
      4  -0.934369D+00  0.248379D+01  0.136557D+01 -0.140563D+02 -0.734686D+00
      5   0.135996D+01  0.192759D+01  0.993778D+00 -0.356358D+01  0.579778D+00
      6  -0.177718D+01  0.709257D+01 -0.347880D+01 -0.373707D+01  0.382716D+01
                16            17            18            19            20 
      1  -0.204443D+01 -0.422767D+01  0.147973D+02 -0.187555D+02  0.975590D+01
      2  -0.264362D+01  0.105569D+02  0.887640D+01 -0.587260D+01  0.105411D+02
      3   0.468805D+01 -0.632925D+01 -0.236737D+02  0.246281D+02 -0.202970D+02
      4   0.258082D+01 -0.124541D+01  0.427535D+01  0.522262D+02 -0.379378D+02
      5   0.364432D+01  0.968193D+00  0.291739D+01  0.196801D+02 -0.754636D+01
      6   0.661158D+01  0.179651D+01 -0.171143D+02 -0.103939D+02  0.265955D+01
                21            22            23            24            25 
      1   0.111993D+02  0.217243D+02 -0.167349D+02 -0.925613D+01  0.147011D+00
      2  -0.672588D+01 -0.205644D+01 -0.885050D+01  0.138144D+02 -0.126932D+01
      3  -0.447342D+01 -0.196679D+02  0.255854D+02 -0.455826D+01  0.112231D+01
      4  -0.820443D+01 -0.453972D+02  0.584354D+02 -0.172636D+01 -0.397267D+01
      5  -0.790076D+01 -0.165526D+02  0.272015D+01  0.145840D+02  0.788053D+01
      6   0.908955D+01  0.592058D+01  0.181987D+01 -0.533285D+01  0.136335D+01
                26            27            28            29            30 
      1  -0.294187D+01 -0.374936D+01  0.665251D+01 -0.106762D+02 -0.216675D+02
      2   0.652201D+01 -0.864600D+01  0.506558D+01 -0.811352D+01  0.141353D+02
      3  -0.358014D+01  0.123954D+02 -0.117181D+02  0.187897D+02  0.753224D+01
      4  -0.453924D+01  0.923161D+01 -0.343155D+02  0.432596D+02  0.195058D+02
      5   0.229827D+01 -0.535471D+01 -0.397843D+02  0.164670D+02  0.165219D+02
      6   0.526927D+01 -0.138306D+01  0.203015D+02 -0.124735D+02 -0.847130D+01
                31            32            33            34            35 
      1  -0.147355D+02  0.195941D+02  0.161451D+02 -0.349034D+02  0.240059D+02
      2  -0.901099D+01  0.606221D+01 -0.207964D+02  0.230244D+02 -0.290602D+02
      3   0.237465D+02 -0.256563D+02  0.465126D+01  0.118790D+02  0.505428D+01
      4   0.499688D+02 -0.493186D+02  0.930439D+01  0.155642D+02  0.114025D+02
      5   0.745760D+01  0.100627D+02 -0.112854D+02  0.238290D+02 -0.176225D+02
      6  -0.418467D+01 -0.194271D+02  0.680574D+01 -0.137763D+02  0.137029D+02
                36            37            38            39            40 
      1   0.347388D+01  0.575568D+01 -0.567544D+01  0.267082D+01 -0.889073D+01
      2  -0.450227D+01  0.380510D+01 -0.208084D+00 -0.480203D+01 -0.807861D+00
      3   0.102838D+01 -0.956078D+01  0.588353D+01  0.213121D+01  0.969859D+01
      4  -0.168901D+02 -0.304845D+02  0.124060D+02  0.595366D+01  0.453784D+01
      5  -0.107464D+02 -0.372410D+01  0.114459D+01  0.496567D+00  0.239438D+01
      6  -0.142481D+01  0.498185D+01 -0.748293D+01 -0.400019D+01 -0.736358D+01
                41            42            43            44            45 
      1   0.225485D+02  0.654759D+01  0.119894D+02  0.347194D+01  0.441663D+01
      2  -0.457541D+01 -0.305017D+01 -0.735446D+01 -0.607074D+01 -0.297299D+00
      3  -0.179731D+02 -0.349742D+01 -0.463494D+01  0.259880D+01 -0.411934D+01
      4  -0.858816D+01 -0.125879D+01  0.120324D+02 -0.428354D+01 -0.718577D+01
      5  -0.511744D+01  0.222316D+01 -0.433646D+01  0.310334D+01 -0.137234D+01
      6  -0.247607D+01 -0.179715D+02 -0.253967D+01 -0.152335D+02 -0.934839D+00
                46            47            48            49            50 
      1  -0.138756D+02 -0.489147D+01 -0.126298D+02 -0.247329D+01  0.262902D+01
      2   0.143959D+01  0.242052D+01  0.102865D+02  0.505099D+01 -0.272565D+01
      3   0.124361D+02  0.247095D+01  0.234337D+01 -0.257770D+01  0.966302D-01
      4   0.273972D+01  0.208832D+01 -0.898393D+01 -0.810133D-02  0.185571D+02
      5  -0.123320D+02 -0.137730D+01  0.668646D+01 -0.784687D+00 -0.209158D+01
      6  -0.595105D+01  0.356098D+00  0.412288D+01  0.835844D+00 -0.704645D+01
                51            52            53            54            55 
      1  -0.607579D+01 -0.161242D+02 -0.462028D+01  0.900074D+01 -0.291908D+01
      2  -0.161440D+01  0.119963D+02  0.172139D+01 -0.592081D+01 -0.837568D+01
      3   0.769019D+01  0.412788D+01  0.289889D+01 -0.307994D+01  0.112948D+02
      4  -0.137832D+01 -0.182012D+02  0.635198D+00  0.266927D+01  0.156057D+02
      5  -0.446713D+01  0.797909D+01 -0.430397D+01  0.259342D+01  0.365557D+01
      6   0.135578D+01  0.438395D+01 -0.123898D+01  0.522423D+00 -0.551750D+01
                56            57            58            59            60 
      1  -0.339379D+00  0.332301D+01 -0.191801D+01 -0.137664D+02  0.120027D+01
      2   0.132888D+02 -0.477350D+01  0.101805D+02  0.831319D+01 -0.551955D+00
      3  -0.129494D+02  0.145049D+01 -0.826247D+01  0.545321D+01 -0.648314D+00
      4  -0.214563D+02 -0.476186D+01 -0.195755D+02  0.976204D+01  0.528399D+01
      5  -0.307575D+01 -0.816579D+00 -0.477791D+01  0.597480D+01  0.221915D+01
      6  -0.163524D+01 -0.733432D+01  0.320013D+00  0.407036D+01 -0.889343D+00
                61            62            63            64            65 
      1   0.332413D+01  0.404186D+01  0.262441D+01  0.585846D+01  0.954636D+01
      2  -0.292929D+01 -0.865759D+01  0.457722D+01  0.614359D+01 -0.590229D+01
      3  -0.394834D+00  0.461573D+01 -0.720163D+01 -0.120021D+02 -0.364407D+01
      4  -0.264965D+01  0.665530D+01 -0.346385D+01 -0.152361D+00 -0.510066D+01
      5   0.723949D+00 -0.694372D+00 -0.170150D+01 -0.488291D+01  0.704187D+01
      6  -0.621435D+01  0.238464D+01  0.103660D+02  0.117015D+02  0.141831D+02
                66            67            68            69            70 
      1  -0.306431D+01  0.136375D+02 -0.982025D+01 -0.147543D+01 -0.793435D+00
      2   0.139848D+02 -0.320189D+01  0.336034D+01 -0.593259D+01  0.118022D+02
      3  -0.109205D+02 -0.104356D+02  0.645992D+01  0.740802D+01 -0.110088D+02
      4   0.680200D+01 -0.305353D+01 -0.361918D+01  0.351021D+01  0.802206D+00
      5  -0.164902D+02  0.225840D+01  0.878971D+01 -0.884604D+01 -0.146004D+02
      6  -0.164371D+01  0.130489D+02 -0.122008D+02  0.896909D-01  0.203792D+01
                71            72            73            74            75 
      1  -0.457089D+01 -0.597696D+01  0.234925D+02  0.241966D+01  0.115833D+02
      2   0.411116D+00 -0.243524D+01 -0.180817D+02 -0.184323D+01 -0.120641D+02
      3   0.415978D+01  0.841220D+01 -0.541079D+01 -0.576426D+00  0.480848D+00
      4   0.501555D+01  0.263216D+01  0.849120D+01  0.857389D+01  0.541090D+01
      5  -0.308015D+01 -0.463420D+01  0.208287D+02  0.291669D+01  0.181720D+02
      6  -0.257532D+01  0.951087D+00  0.257871D+01  0.147450D+01  0.326143D+01
                76            77            78            79            80 
      1  -0.374275D+01  0.154328D+01 -0.244494D+01  0.131593D+02 -0.610775D+00
      2   0.380766D+01 -0.115646D+01  0.325934D+01 -0.146407D+02 -0.194205D-01
      3  -0.649049D-01 -0.386823D+00 -0.814398D+00  0.148146D+01  0.630196D+00
      4   0.602590D+01  0.849250D+00  0.283454D+01  0.616033D+01  0.344576D+01
      5  -0.267229D+01  0.412391D+01 -0.217940D+01  0.220202D+02  0.452990D+01
      6   0.208854D+01  0.595840D-01  0.385328D+01  0.374283D+01  0.470485D+01
                81            82            83            84            85 
      1   0.735118D+01 -0.656037D+00 -0.250174D+01 -0.323130D+00 -0.377028D+01
      2  -0.162581D+02  0.706035D+01  0.844093D+01  0.768864D+00  0.971867D+01
      3   0.890692D+01 -0.640431D+01 -0.593920D+01 -0.445734D+00 -0.594839D+01
      4   0.774279D+01  0.667473D+01  0.134905D+02  0.544067D+00  0.109660D+02
      5   0.260445D+02  0.145063D+01  0.228177D+01  0.181320D+01  0.196582D+01
      6   0.514314D+01  0.747495D+00  0.231468D+01  0.573611D+00  0.313912D+01
                86            87            88            89            90 
      1  -0.395264D+02 -0.315062D+01  0.232059D+00  0.222413D+01 -0.579538D+01
      2   0.734189D+02  0.295373D+01 -0.758859D+00 -0.728113D+01  0.513477D+01
      3  -0.338925D+02  0.196896D+00  0.526800D+00  0.505700D+01  0.660608D+00
      4   0.221221D+02  0.189768D+01 -0.163549D+01 -0.201596D+01  0.160921D+01
      5   0.289113D+01  0.176815D+01  0.895938D+00  0.198378D+01 -0.102731D+00
      6   0.140409D+02  0.865258D+01  0.403764D+00  0.866748D+01  0.164359D+01
                91            92            93            94            95 
      1  -0.108410D+01  0.718839D+00  0.355926D+01 -0.160591D+01 -0.600244D+01
      2  -0.368233D+01 -0.530880D-01  0.924541D-01  0.736629D+00  0.515080D+01
      3   0.476643D+01 -0.665751D+00 -0.365171D+01  0.869281D+00  0.851634D+00
      4  -0.209811D+01  0.283144D+01  0.314291D+01  0.459825D+00  0.144316D+00
      5  -0.194168D+01  0.805456D+00  0.621486D+01 -0.347517D+00  0.397048D-01
      6   0.246061D+01 -0.218831D+01 -0.447369D+01 -0.837176D+00  0.413985D+01
                96            97            98            99           100 
      1  -0.196112D+01  0.428838D+01 -0.773326D+01 -0.254299D+02  0.613723D+02
      2   0.386484D+01  0.107839D+01  0.258103D+01 -0.133738D+02 -0.285217D+02
      3  -0.190372D+01 -0.536677D+01  0.515222D+01  0.388037D+02 -0.328506D+02
      4  -0.207258D-01  0.339452D+01  0.103432D+00 -0.288921D+00 -0.316052D+02
      5  -0.366307D+00  0.508213D+01  0.658558D+00  0.208365D+01  0.168991D+02
      6   0.544784D+01 -0.285856D+01  0.117419D+02  0.290447D+02 -0.101396D+02
               101           102           103           104           105 
      1  -0.105440D+02  0.143476D+02 -0.342475D+00  0.560632D+01  0.823139D+00
      2   0.138472D+01 -0.723260D+01 -0.449847D+01  0.209153D+01 -0.323498D+00
      3   0.915929D+01 -0.711499D+01  0.484095D+01 -0.769785D+01 -0.499641D+00
      4   0.168633D+02 -0.959185D+01  0.134506D+02 -0.107533D+02 -0.253466D-01
      5  -0.567444D+01  0.109933D+02  0.272381D+01 -0.918803D+00 -0.187410D+00
      6   0.415364D+01 -0.577187D+01 -0.417874D+00  0.143068D+01  0.149802D+01
               106           107           108           109           110 
      1   0.287640D+02 -0.710768D+01  0.825030D+01  0.264563D+01 -0.102823D+02
      2  -0.160645D+02  0.393250D+01 -0.630779D+01  0.284308D+01  0.725409D+01
      3  -0.126995D+02  0.317518D+01 -0.194251D+01 -0.548871D+01  0.302819D+01
      4  -0.128355D+02  0.284695D+01 -0.379150D+01 -0.561013D+01  0.488294D+01
      5   0.952366D+01 -0.531157D+00  0.993102D+01  0.162099D+01 -0.226332D+01
      6  -0.425674D+01  0.149731D+01 -0.407913D+01  0.274802D+00  0.560284D+01
               111           112           113           114           115 
      1  -0.241342D+01 -0.321714D+01 -0.254756D+02 -0.989821D+01  0.157572D+01
      2   0.218042D+01 -0.178574D+01  0.423437D+02  0.121240D+02 -0.271941D+01
      3   0.233003D+00  0.500288D+01 -0.168681D+02 -0.222579D+01  0.114370D+01
      4  -0.212880D+01  0.122634D+02 -0.306170D+02 -0.112537D+02  0.159093D+00
      5  -0.112135D+01  0.381254D+01 -0.134069D+02 -0.853948D+01  0.187232D+00
      6   0.328739D+01 -0.371419D+01  0.213706D+02  0.129342D+02  0.297710D+00
               116           117           118           119           120 
      1  -0.154965D+02 -0.909080D+01 -0.283585D+00 -0.132881D+01 -0.146953D+01
      2   0.194273D+02  0.736817D+01  0.322792D+00  0.482342D+00  0.171820D+00
      3  -0.393082D+01  0.172263D+01 -0.392069D-01  0.846465D+00  0.129771D+01
      4  -0.114937D+02 -0.449017D+01  0.213942D+01  0.685974D+01  0.318691D+01
      5  -0.594003D+01 -0.476112D+01  0.817744D+00  0.420947D+01  0.516075D+01
      6   0.116855D+02  0.990543D+01  0.504899D+01  0.193685D+01  0.254837D+01
               121           122           123           124           125 
      1  -0.243188D+01 -0.173002D+02 -0.122811D+02 -0.501308D+00 -0.997883D+01
      2   0.138413D+01  0.143356D+02  0.509903D+01  0.267091D+00  0.233116D+01
      3   0.104775D+01  0.296457D+01  0.718210D+01  0.234217D+00  0.764767D+01
      4   0.618435D+01  0.476728D+01  0.261544D+01  0.867767D+00  0.223974D+01
      5   0.342030D+01  0.140788D+01  0.173470D+01  0.312537D+01  0.137460D+01
      6   0.201592D+01  0.216773D+02  0.182061D+02  0.236827D+01  0.158202D+02
               126           127           128           129           130 
      1  -0.145499D+02  0.108103D+02  0.440295D+01  0.561251D+01  0.568030D+01
      2  -0.996738D+00  0.110703D+02 -0.671581D+01 -0.122782D+02 -0.117904D+02
      3   0.155467D+02 -0.218806D+02  0.231286D+01  0.666564D+01  0.611010D+01
      4   0.317924D+01  0.756328D+01  0.608046D+00  0.381165D+01 -0.948503D+00
      5   0.155308D+01  0.511725D+01 -0.517557D+01 -0.200494D+02 -0.658240D+01
      6   0.159977D+02 -0.496303D+00  0.389390D+01  0.134516D+01  0.537837D+01
               131           132           133           134           135 
      1   0.875191D+01  0.268364D+01  0.633684D+01  0.542610D+01 -0.119834D+02
      2  -0.228806D+02  0.125383D+02 -0.115859D+02  0.510968D+01  0.123230D+02
      3   0.141287D+02 -0.152220D+02  0.524905D+01 -0.105358D+02 -0.339552D+00
      4  -0.171043D+02  0.153976D+01  0.544861D+01 -0.904851D-01  0.171609D+01
      5   0.398472D+01  0.943408D+01 -0.198605D+02  0.598697D+01  0.991813D+01
      6   0.204449D+02  0.994681D+00  0.105147D+01  0.478938D+01 -0.119890D+02
               136           137           138           139           140 
      1   0.120793D+01  0.156769D+02  0.235394D+02  0.213411D+02  0.103639D+01
      2   0.179362D+01 -0.118288D+02 -0.113520D+02 -0.191477D+02 -0.141330D+02
      3  -0.300155D+01 -0.384805D+01 -0.121874D+02 -0.219336D+01  0.130966D+02
      4   0.153383D+02 -0.502615D+01  0.241412D+01 -0.111468D+02 -0.341995D+02
      5   0.245337D+02 -0.835791D+00 -0.136394D+02 -0.234278D+01 -0.408846D+01
      6   0.405746D+01 -0.771692D+00 -0.141115D+01 -0.198177D+01 -0.558984D+01
               141           142           143           144           145 
      1  -0.122912D+01  0.293840D+02 -0.174082D+01 -0.178148D+02  0.146631D+02
      2  -0.222829D+01 -0.140626D+02 -0.216599D+01  0.161364D+02  0.398826D+01
      3   0.345741D+01 -0.153213D+02  0.390681D+01  0.167835D+01 -0.186514D+02
      4  -0.350666D+01  0.323105D+01 -0.330128D+01  0.116467D+02 -0.297089D+02
      5   0.146425D+02 -0.193612D+02  0.135944D+02 -0.146731D+02 -0.375333D+01
      6   0.204716D+01 -0.167279D+01  0.246770D+01 -0.110442D+01  0.199989D+01
               146           147           148           149           150 
      1  -0.453885D+01 -0.180696D+01 -0.130789D+01 -0.409862D+01 -0.743203D+00
      2  -0.109549D+02  0.763027D-01 -0.116962D+02  0.221914D+02  0.297670D+01
      3   0.154938D+02  0.173065D+01  0.130041D+02 -0.180928D+02 -0.223349D+01
      4   0.267496D+02  0.370331D+01  0.230871D+02 -0.266468D+02 -0.334019D+01
      5   0.220168D+01  0.538426D+01  0.177949D+01 -0.261250D+01 -0.252156D+01
      6  -0.159209D+01 -0.321165D+01 -0.133406D+01  0.259050D+01  0.599251D+01
               151           152           153           154           155 
      1  -0.157187D+01 -0.697157D+00 -0.977268D+00  0.368046D+01  0.189690D+01
      2   0.604296D-01  0.331541D+01  0.231293D+01 -0.122501D+02 -0.260528D+00
      3   0.151144D+01 -0.261825D+01 -0.133566D+01  0.856965D+01 -0.163637D+01
      4   0.376269D+01 -0.370866D+01 -0.566792D+01 -0.473242D+01  0.446987D+01
      5   0.570479D+01 -0.428172D+01 -0.215773D+01  0.195857D+02 -0.460822D+01
      6  -0.413272D+01  0.766403D+01  0.121610D+01 -0.855297D+01  0.467933D+01
               156           157           158           159           160 
      1  -0.348969D+01 -0.711428D+00 -0.732441D+00  0.130408D+01 -0.284134D+01
      2  -0.119173D+02 -0.101701D+01 -0.127929D+01 -0.158588D+01 -0.108737D+02
      3   0.154070D+02  0.172844D+01  0.201174D+01  0.281803D+00  0.137151D+02
      4  -0.517177D+01  0.488061D+01 -0.147435D+01  0.264518D+01 -0.402438D+01
      5   0.184002D+02 -0.132774D+01  0.365910D+01 -0.111002D+01  0.166919D+02
      6  -0.870511D+01  0.317880D+01 -0.223942D+01  0.706822D+01 -0.663079D+01
               161           162           163           164           165 
      1   0.344916D+01 -0.110577D+02 -0.323189D+01 -0.730585D+01  0.815586D+01
      2   0.824273D+00 -0.164284D+02 -0.149396D+01  0.438953D+01  0.122593D+01
      3  -0.427343D+01  0.274861D+02  0.472586D+01  0.291631D+01 -0.938179D+01
      4   0.233131D+01 -0.400187D+01  0.860392D+01  0.805571D+01 -0.670070D+01
      5  -0.294651D+01  0.201991D+02 -0.114607D+02 -0.754103D+01  0.123455D+02
      6   0.741617D+01 -0.123865D+02 -0.989877D+01 -0.129901D+02  0.118805D+02
               166           167           168           169           170 
      1  -0.485613D+01 -0.102552D+02  0.882577D+01  0.413457D+01  0.753289D+01
      2   0.303683D+01  0.972949D+01 -0.195630D+01  0.701800D+00 -0.277457D+00
      3   0.181929D+01  0.525679D+00 -0.686948D+01 -0.483637D+01 -0.725543D+01
      4   0.709364D+01  0.610906D+01 -0.451913D+01 -0.429568D+01 -0.398185D+01
      5  -0.528292D+01 -0.680205D+01  0.498912D+01  0.869104D+01  0.469256D+01
      6  -0.855858D+01 -0.142302D+02  0.142061D+02  0.632661D+01  0.118981D+02
               171           172           173           174           175 
      1  -0.109448D+02 -0.464002D+01  0.816491D+00 -0.934302D+01 -0.644596D+00
      2  -0.327113D+01 -0.433354D+01 -0.575278D+00 -0.362719D+01  0.888193D+00
      3   0.142159D+02  0.897356D+01 -0.241213D+00  0.129702D+02 -0.243597D+00
      4   0.465218D+01 -0.884235D+01  0.547898D+00 -0.222142D+01  0.116932D+01
      5  -0.777083D+01  0.136715D+02  0.166876D+01  0.788153D+01  0.198331D+01
      6  -0.146164D+02 -0.971270D-01  0.407712D+01 -0.478787D+01  0.240228D+01
               176           177           178           179           180 
      1  -0.297306D+01 -0.498137D+00 -0.591088D+01 -0.348155D+00 -0.682430D+01
      2   0.288631D+01 -0.267596D+01 -0.272394D+01 -0.104450D+01 -0.608064D+01
      3   0.867475D-01  0.317410D+01  0.863482D+01  0.139266D+01  0.129049D+02
      4   0.762060D+00  0.198190D+00 -0.256977D+01  0.624320D+00 -0.310484D+01
      5   0.187049D+01 -0.169000D+01  0.888028D+01 -0.258954D+00  0.541323D+01
      6  -0.181811D+01  0.246676D+01 -0.222669D+01  0.236210D+01 -0.198807D+01
               181           182           183           184           185 
      1  -0.550009D+00  0.158584D+01 -0.328889D+00 -0.498440D+00 -0.204649D+02
      2   0.173237D+01  0.156720D+01  0.159900D+01  0.518013D+01  0.376852D+02
      3  -0.118236D+01 -0.315304D+01 -0.127011D+01 -0.468169D+01 -0.172203D+02
      4   0.451748D+01  0.796944D+01 -0.229507D+01  0.102495D+02  0.208025D+02
      5  -0.254866D+01 -0.333540D+01  0.500476D+01 -0.416627D+01 -0.561379D+01
      6  -0.333447D+01 -0.307586D+01  0.124739D+01 -0.588318D+01 -0.296087D+02
               186           187           188           189           190 
      1   0.761373D+01  0.602220D+00  0.231356D+01 -0.227503D+01  0.868690D+01
      2  -0.511306D+01  0.170187D+01  0.134739D+01  0.177718D+01 -0.170845D+02
      3  -0.250066D+01 -0.230409D+01 -0.366094D+01  0.497851D+00  0.839757D+01
      4  -0.496594D+01 -0.906273D-01  0.253493D+00  0.248527D+01  0.242966D+01
      5   0.387049D+01  0.335883D+01  0.166973D+01 -0.182571D+01 -0.230503D+02
      6   0.133064D+02  0.135046D+01  0.691421D+01 -0.323952D+01 -0.239677D-01
               191           192           193           194           195 
      1  -0.227114D+01 -0.144240D+01 -0.325781D+01 -0.681089D+00 -0.171439D+01
      2   0.371427D+01  0.159651D+02  0.650103D+01 -0.109550D+01 -0.817417D+01
      3  -0.144313D+01 -0.145227D+02 -0.324322D+01  0.177659D+01  0.988856D+01
      4   0.365511D+01 -0.315714D+01  0.301340D+01 -0.746097D+00 -0.305171D+01
      5   0.293020D+01  0.239180D+02  0.781652D+01 -0.591653D+01 -0.894824D+01
      6  -0.531393D+01  0.183431D+01 -0.465496D+01  0.204310D+01  0.516890D+01
               196           197           198           199           200 
      1  -0.106687D+01 -0.627119D+00 -0.639080D+01  0.908170D+01 -0.452712D+01
      2   0.137900D+02 -0.367554D+01 -0.225233D+02 -0.824688D+01  0.327003D+01
      3  -0.127232D+02  0.430266D+01  0.289141D+02 -0.834826D+00  0.125709D+01
      4  -0.231125D+01 -0.263087D+01  0.159694D+01 -0.363428D+01  0.267548D+01
      5   0.202062D+02 -0.331092D+01 -0.264443D+02  0.962568D+01 -0.305589D+01
      6   0.655045D+00  0.508556D+01 -0.699178D+00 -0.294543D+00  0.542458D+00
               201           202           203           204           205 
      1   0.674170D+01 -0.943195D+01  0.935646D+00 -0.179376D+01  0.121659D+02
      2  -0.676546D+01  0.637579D+01 -0.415696D+00  0.370136D+01 -0.106634D+02
      3   0.237590D-01  0.305616D+01 -0.519950D+00 -0.190760D+01 -0.150248D+01
      4  -0.163106D+01  0.441175D+01 -0.241837D+01  0.648149D+01  0.143710D+00
      5   0.141931D+02 -0.468963D+01  0.636190D+01 -0.953063D+01  0.203106D+02
      6   0.632481D+00  0.923003D+00 -0.140207D+01  0.266117D+01  0.216823D+01
               206           207           208           209           210 
      1  -0.234722D+00  0.630541D+01  0.526167D+02 -0.892314D+01 -0.180956D+02
      2   0.323499D+01 -0.169297D+02 -0.286327D+02  0.550071D+01  0.102953D+02
      3  -0.300027D+01  0.106243D+02 -0.239840D+02  0.342243D+01  0.780027D+01
      4   0.764765D+01 -0.523393D+01 -0.309326D+01  0.812699D+01  0.107377D+01
      5  -0.720785D+01  0.333852D+02 -0.195364D+02  0.291587D+01  0.148841D+02
      6   0.303378D+01  0.313400D+01 -0.205360D+01 -0.147729D+00  0.163631D+01
               211           212           213           214           215 
      1  -0.178643D+02  0.709047D+01  0.427097D+01 -0.307990D+02  0.342384D+01
      2   0.105472D+02 -0.192272D+01 -0.248608D+01  0.178367D+02 -0.223916D+01
      3   0.731710D+01 -0.516775D+01 -0.178489D+01  0.129623D+02 -0.118468D+01
      4   0.105757D+02 -0.261190D+01 -0.428995D+01 -0.504182D+00 -0.634983D+01
      5   0.540342D+01 -0.408667D+01 -0.690423D+01  0.206659D+02 -0.499039D+01
      6  -0.686737D+00  0.131173D+01  0.118052D+01  0.174247D+01  0.119043D+01
               216           217           218           219           220 
      1   0.143475D+02  0.585353D+01  0.609373D+01 -0.140334D+01  0.934721D+01
      2  -0.118124D+02  0.555184D+00 -0.551156D+00  0.104447D+01  0.403772D+01
      3  -0.253513D+01 -0.640871D+01 -0.554257D+01  0.358863D+00 -0.133849D+02
      4  -0.308722D+01  0.890958D+01  0.121428D+02  0.117035D+01  0.254920D+02
      5  -0.169292D+02 -0.778032D+00  0.180806D+01  0.307608D+01  0.387507D+01
      6  -0.151551D+01  0.886495D+00  0.974358D+00  0.358600D+00  0.319528D+01
               221           222           223           224           225 
      1  -0.507651D+01  0.289689D+00 -0.304949D+01 -0.249437D+00  0.915135D+00
      2   0.263875D+02  0.831303D+00  0.149351D+01  0.836150D+00  0.500057D+00
      3  -0.213110D+02 -0.112099D+01  0.155598D+01 -0.586714D+00 -0.141519D+01
      4   0.477288D+02  0.417468D+01  0.132900D+01  0.301537D+01  0.481303D+01
      5   0.438705D+01  0.611901D+01  0.614440D+01  0.468569D+01  0.286627D+01
      6   0.765103D+01  0.654329D+01  0.267893D+01  0.622203D+01  0.155294D+01
               226           227           228           229           230 
      1   0.166989D+02  0.115198D+02 -0.544721D+01  0.717714D+01  0.268022D+01
      2  -0.615353D+01 -0.311785D+01  0.144791D+01  0.328654D+00  0.610546D+01
      3  -0.105453D+02 -0.840193D+01  0.399930D+01 -0.750580D+01 -0.878568D+01
      4   0.194924D+02  0.209841D+02 -0.666809D+01  0.149116D+02  0.254360D+02
      5  -0.681345D+01 -0.336525D+01  0.765541D+01 -0.314478D+01 -0.680371D+01
      6  -0.500117D+01 -0.456824D+01  0.389433D+01 -0.435761D+01 -0.615446D+01
               231           232           233           234 
      1  -0.259065D+01 -0.943892D+01 -0.359901D+01  0.562006D+01
      2  -0.159946D+01  0.354878D+01 -0.178523D+01 -0.360977D+01
      3   0.419010D+01  0.589013D+01  0.538424D+01 -0.201029D+01
      4  -0.840392D+01 -0.108067D+02 -0.191837D+02  0.105568D+02
      5   0.293308D+01  0.101230D+02  0.723391D+01 -0.974943D+01
      6   0.615456D+01  0.556387D+01  0.792662D+01 -0.679608D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.286513D+00      0.728243D+00      0.242916D+01
   x         -0.168839D+00     -0.429147D+00     -0.143148D+01
   y          0.226577D+00      0.575901D+00      0.192100D+01
   z          0.473898D-01      0.120453D+00      0.401787D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.112325D+03      0.166448D+02      0.185199D+02
   aniso      0.232743D+02      0.344890D+01      0.383742D+01
   xx         0.122601D+03      0.181675D+02      0.202141D+02
   yx        -0.680292D+01     -0.100809D+01     -0.112165D+01
   yy         0.114486D+03      0.169651D+02      0.188763D+02
   zx         0.723190D+00      0.107166D+00      0.119238D+00
   zy         0.113236D+01      0.167799D+00      0.186701D+00
   zz         0.998872D+02      0.148018D+02      0.164692D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.116816D+03      0.173104D+02      0.192604D+02
   aniso      0.243230D+02      0.360430D+01      0.401032D+01
   xx         0.127228D+03      0.188532D+02      0.209770D+02
   yx        -0.753631D+01     -0.111677D+01     -0.124257D+01
   yy         0.119222D+03      0.176669D+02      0.196571D+02
   zx         0.114252D+00      0.169304D-01      0.188376D-01
   zy         0.107448D+01      0.159222D+00      0.177159D+00
   zz         0.103999D+03      0.154110D+02      0.171470D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          3.33100666          1.44816817         -0.61672476
     6          2.77415654          0.63443705          2.14191318
     6          1.13438583          0.99788014         -2.40675749
     6          1.42459406          0.70720937         -4.88421922
     6         -1.38923463          0.90353706         -1.12383393
     6         -1.41208659         -1.34937142          0.82114988
     6         -0.06958325          0.54123161          2.65117599
     6         -1.37968134          2.71407979          1.18912524
     1          5.03469097          0.53452756         -1.33097481
     1          3.66353713          1.97073413          3.43941300
     1          3.60920599         -1.20909455          2.54050336
     1          3.27635778          0.71341487         -5.75842682
     1         -0.18634061          0.46131706         -6.12263668
     1         -2.94951664          1.00303233         -2.46655509
     6         -0.07228597         -3.78657803          0.09461033
     6         -4.09007279         -1.98614496          1.69035016
     1         -0.47404998          0.33014532          4.66334082
     1         -3.27255609          3.11748811          1.87343031
     1         -0.35499570          4.48996516          0.99710201
     1          1.82453921         -3.48426918         -0.63741466
     1         -1.13875948         -4.77312340         -1.37294088
     1          0.06148988         -5.04786272          1.72557715
     1         -5.17006994         -0.32631715          2.25201642
     1         -4.02811122         -3.26930168          3.30780736
     1         -5.13111708         -2.93281434          0.17910265
     1          3.72850942          3.47546463         -0.63009167

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.286513D+00      0.728243D+00      0.242916D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.286513D+00      0.728243D+00      0.242916D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.112325D+03      0.166448D+02      0.185199D+02
   aniso      0.232743D+02      0.344890D+01      0.383742D+01
   xx         0.110728D+03      0.164082D+02      0.182566D+02
   yx         0.550057D+01      0.815101D+00      0.906922D+00
   yy         0.102846D+03      0.152401D+02      0.169569D+02
   zx        -0.651804D+01     -0.965875D+00     -0.107468D+01
   zy        -0.532585D+00     -0.789209D-01     -0.878113D-01
   zz         0.123401D+03      0.182861D+02      0.203460D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.116816D+03      0.173104D+02      0.192604D+02
   aniso      0.243230D+02      0.360430D+01      0.401032D+01
   xx         0.114251D+03      0.169302D+02      0.188374D+02
   yx         0.560225D+01      0.830168D+00      0.923687D+00
   yy         0.107329D+03      0.159045D+02      0.176962D+02
   zx        -0.665820D+01     -0.986644D+00     -0.109779D+01
   zy        -0.749145D+00     -0.111012D+00     -0.123517D+00
   zz         0.128869D+03      0.190964D+02      0.212476D+02

 ----------------------------------------------------------------------
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 ... IT CAN BE VERY DIFFICULT, IN THESE COMPLEX TIMES,
 TO UNDERSTAND JUST HOW SCIENTISTS DO WHAT THEY DO.

                     DON MOSER IN THE FEBRUARY 1979 SMITHSONIAN
 Job cpu time:       0 days  4 hours 17 minutes 40.2 seconds.
 Elapsed time:       0 days  0 hours 21 minutes 37.7 seconds.
 File lengths (MBytes):  RWF=    292 Int=      0 D2E=      0 Chk=     13 Scr=      2
 Normal termination of Gaussian 16 at Thu Jul 22 19:06:58 2021.
